ethane;(5E)-6-ethenyl-4-ethyl-4,6-dimethyl-1-[(3E,5Z)-nona-1,3,5,8-tetraen-4-yl]-5-propylidenecyclohexene

C26H40 — CID 145429005

IUPACethane;(5E)-6-ethenyl-4-ethyl-4,6-dimethyl-1-[(3E,5Z)-nona-1,3,5,8-tetraen-4-yl]-5-propylidenecyclohexene
SMILESC=C/C=C(\C=C/CC=C)C1=CCC(C)(CC)/C(=C\CC)C1(C)C=C.CC
InChIInChI=1S/C24H34.C2H6/c1-8-13-14-17-20(15-9-2)21-18-19-23(6,11-4)22(16-10-3)24(21,7)12-5;1-2/h8-9,12,14-18H,1-2,5,10-11,13,19H2,3-4,6-7H3;1-2H3/b17-14-,20-15+,22-16+;
InChIKeyPJQLBKSVZNDBDE-BPLIQLEKSA-N
MW352.61 g/mol
LogP8.53
Rot. Bonds8

About ethane;(5E)-6-ethenyl-4-ethyl-4,6-dimethyl-1-[(3E,5Z)-nona-1,3,5,8-tetraen-4-yl]-5-propylidenecyclohexene

ethane;(5E)-6-ethenyl-4-ethyl-4,6-dimethyl-1-[(3E,5Z)-nona-1,3,5,8-tetraen-4-yl]-5-propylidenecyclohexene (PubChem CID 145429005) has the molecular formula C26H40 and a molecular weight of 352.61 g/mol. Its IUPAC name is ethane;(5E)-6-ethenyl-4-ethyl-4,6-dimethyl-1-[(3E,5Z)-nona-1,3,5,8-tetraen-4-yl]-5-propylidenecyclohexene.

Molecular Properties

Compound Nameethane;(5E)-6-ethenyl-4-ethyl-4,6-dimethyl-1-[(3E,5Z)-nona-1,3,5,8-tetraen-4-yl]-5-propylidenecyclohexene
PubChem CID145429005
Molecular FormulaC26H40
Molecular Weight352.61 g/mol
Exact Mass352.31
IUPAC Nameethane;(5E)-6-ethenyl-4-ethyl-4,6-dimethyl-1-[(3E,5Z)-nona-1,3,5,8-tetraen-4-yl]-5-propylidenecyclohexene
SMILESC=C/C=C(\C=C/CC=C)C1=CCC(C)(CC)/C(=C\CC)C1(C)C=C.CC
InChIInChI=1S/C24H34.C2H6/c1-8-13-14-17-20(15-9-2)21-18-19-23(6,11-4)22(16-10-3)24(21,7)12-5;1-2/h8-9,12,14-18H,1-2,5,10-11,13,19H2,3-4,6-7H3;1-2H3/b17-14-,20-15+,22-16+;
InChIKeyPJQLBKSVZNDBDE-BPLIQLEKSA-N
XLogP8.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Beta-Carotene
CID 5280489
Elemene
CID 12309449
Alpha-Carotene
CID 6419725
Torulene
CID 5281253
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
alpha-Camphorene
CID 101750
Axerophthene
CID 5287722
(6E)-6-((2E,4E,6E)-3,7-Dimethyl-2,4,6,8-nonatetraen-1-ylidene)-1,5,5-trimethylcyclohexene
CID 5287678
Sesquiphellandrene
CID 519764
delta-Selinene
CID 520383
gamma-Carotene
CID 5280791
9-Cis-Beta-Carotene
CID 9828626

Frequently Asked Questions

What is the IUPAC name of ethane;(5E)-6-ethenyl-4-ethyl-4,6-dimethyl-1-[(3E,5Z)-nona-1,3,5,8-tetraen-4-yl]-5-propylidenecyclohexene?
The IUPAC name of ethane;(5E)-6-ethenyl-4-ethyl-4,6-dimethyl-1-[(3E,5Z)-nona-1,3,5,8-tetraen-4-yl]-5-propylidenecyclohexene (CID 145429005) is ethane;(5E)-6-ethenyl-4-ethyl-4,6-dimethyl-1-[(3E,5Z)-nona-1,3,5,8-tetraen-4-yl]-5-propylidenecyclohexene.
What is the SMILES notation for ethane;(5E)-6-ethenyl-4-ethyl-4,6-dimethyl-1-[(3E,5Z)-nona-1,3,5,8-tetraen-4-yl]-5-propylidenecyclohexene?
The canonical SMILES for ethane;(5E)-6-ethenyl-4-ethyl-4,6-dimethyl-1-[(3E,5Z)-nona-1,3,5,8-tetraen-4-yl]-5-propylidenecyclohexene is C=C/C=C(\C=C/CC=C)C1=CCC(C)(CC)/C(=C\CC)C1(C)C=C.CC.
What is the InChIKey of ethane;(5E)-6-ethenyl-4-ethyl-4,6-dimethyl-1-[(3E,5Z)-nona-1,3,5,8-tetraen-4-yl]-5-propylidenecyclohexene?
The InChIKey is PJQLBKSVZNDBDE-BPLIQLEKSA-N. The full InChI is InChI=1S/C24H34.C2H6/c1-8-13-14-17-20(15-9-2)21-18-19-23(6,11-4)22(16-10-3)24(21,7)12-5;1-2/h8-9,12,14-18H,1-2,5,10-11,13,19H2,3-4,6-7H3;1-2H3/b17-14-,20-15+,22-16+;.
What are the key properties of ethane;(5E)-6-ethenyl-4-ethyl-4,6-dimethyl-1-[(3E,5Z)-nona-1,3,5,8-tetraen-4-yl]-5-propylidenecyclohexene?
ethane;(5E)-6-ethenyl-4-ethyl-4,6-dimethyl-1-[(3E,5Z)-nona-1,3,5,8-tetraen-4-yl]-5-propylidenecyclohexene has a molecular weight of 352.61 g/mol, XLogP of 8.53, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E)-6-ethenyl-4-ethyl-4,6-dimethyl-1-[(3E,5Z)-nona-1,3,5,8-tetraen-4-yl]-5-propylidenecyclohexene is sourced from PubChem (CID 145429005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).