Neo-beta-carotene

1,3,3-trimethyl-2-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene

CAS: 68295-84-1

Molecular Formula	`C40H56`
Molecular Weight	536.9 g/mol
LogP	13.5
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	0
Rotatable Bonds	10
Exact Mass	536.4382
Heavy Atoms	40
Complexity	1120.0

Chemical Identifiers

CAS Number	68295-84-1
SMILES	`CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C`
InChIKey	`OENHQHLEOONYIE-UHFFFAOYSA-N`

📖 Product Overview

Neo-beta-carotene (CAS: 68295-84-1) is a chemical compound with molecular formula C40H56 and molecular weight 536.9 g/mol. Its IUPAC systematic name is 1,3,3-trimethyl-2-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene. LogP 13.5 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 0 Rotatable Bonds 10 Exact Mass 536.4382 Heavy Atoms 40 Complexity 1120.0 InChI Key: OENHQHLEOONYIE-UHFFFAOYSA-N. SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C.

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