1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol

C30H50O — CID 167683772

IUPAC1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
SMILESC=C(C)C1CC=C(C)CC1.CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C20H34O.C10H16/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21;1-8(2)10-6-4-9(3)5-7-10/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3;4,10H,1,5-7H2,2-3H3/b18-11+,19-13+,20-15+;
InChIKeyVXMJCRUIHCFVSG-HXVIDAJISA-N
MW426.73 g/mol
LogP9.43
Rot. Bonds11

About 1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol

1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol (PubChem CID 167683772) has the molecular formula C30H50O and a molecular weight of 426.73 g/mol. Its IUPAC name is 1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol.

Molecular Properties

Compound Name1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
PubChem CID167683772
Molecular FormulaC30H50O
Molecular Weight426.73 g/mol
Exact Mass426.39
IUPAC Name1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
SMILESC=C(C)C1CC=C(C)CC1.CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C20H34O.C10H16/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21;1-8(2)10-6-4-9(3)5-7-10/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3;4,10H,1,5-7H2,2-3H3/b18-11+,19-13+,20-15+;
InChIKeyVXMJCRUIHCFVSG-HXVIDAJISA-N
XLogP9.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.73
LogP ≤ 59.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,6-dien-1-ol
CID 529890
(2E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-2,6-dien-1-ol
CID 158432615
ethane-1,2-diol;1-methyl-4-prop-1-en-2-ylcyclohexene
CID 67811623
[(1E,4R,7E,11E)-7,11-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)cyclotetradeca-1,7,11-trien-1-yl]methanol
CID 162947061
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
[6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methylazanide
CID 163157332
1-methyl-4-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclohexene;1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene;(4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene
CID 157469263
1-methyl-4-[(5E)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene
CID 101380860
(4R)-1-methyl-4-[(5Z,10S,14S,18S)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene
CID 162876231
[6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methanidylazanium
CID 163157331
(1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol
CID 162887924

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol?
The IUPAC name of 1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol (CID 167683772) is 1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol.
What is the SMILES notation for 1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol?
The canonical SMILES for 1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol is C=C(C)C1CC=C(C)CC1.CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO.
What is the InChIKey of 1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol?
The InChIKey is VXMJCRUIHCFVSG-HXVIDAJISA-N. The full InChI is InChI=1S/C20H34O.C10H16/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21;1-8(2)10-6-4-9(3)5-7-10/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3;4,10H,1,5-7H2,2-3H3/b18-11+,19-13+,20-15+;.
What are the key properties of 1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol?
1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol has a molecular weight of 426.73 g/mol, XLogP of 9.43, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol is sourced from PubChem (CID 167683772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).