4-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpentyl)cyclohexene

C20H34 — CID 170652574

IUPAC4-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpentyl)cyclohexene
SMILESC=C(CCC=C(C)C)C1CC=C(CCCC(C)C)CC1
InChIInChI=1S/C20H34/c1-16(2)8-6-10-18(5)20-14-12-19(13-15-20)11-7-9-17(3)4/h8,12,17,20H,5-7,9-11,13-15H2,1-4H3
InChIKeyCWDFQKYRCKWZPE-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.84
Rot. Bonds8

About 4-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpentyl)cyclohexene

4-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpentyl)cyclohexene (PubChem CID 170652574) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 4-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpentyl)cyclohexene.

Molecular Properties

Compound Name4-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpentyl)cyclohexene
PubChem CID170652574
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name4-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpentyl)cyclohexene
SMILESC=C(CCC=C(C)C)C1CC=C(CCCC(C)C)CC1
InChIInChI=1S/C20H34/c1-16(2)8-6-10-18(5)20-14-12-19(13-15-20)11-7-9-17(3)4/h8,12,17,20H,5-7,9-11,13-15H2,1-4H3
InChIKeyCWDFQKYRCKWZPE-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4R)-1-methyl-4-[(5Z,10S,14S,18S)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene
CID 162876231
1-methyl-4-[(5E)-6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl]cyclohexene
CID 101380860
2-methyl-1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]but-3-en-1-one
CID 70617790
[(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
(4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene
CID 169000974
3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol
CID 15222644
1-[[4-(4-methylpent-3-enyl)cyclohexyl]methoxy]-4-[2-[4-(4-methylpentyl)cyclohex-3-en-1-yl]ethyl]benzene
CID 22085426
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
[(3R,4R,5R,6R)-4,5-dihydroxy-6-[2-methyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)pentoxy]oxan-3-yl] (E)-2-methyl-5-(4-prop-1-en-2-ylcyclohexen-1-yl)pent-2-enoate
CID 101420445
1,4-bis[(3E)-4,8-dimethylnona-3,7-dienyl]-4-ethenylcyclohexene;1,5-bis[(3E)-4,8-dimethylnona-3,7-dienyl]-5-ethenylcyclohexene;1,3-bis(4,8-dimethylnonyl)-1-ethylcyclohexane;1,4-bis(4,8-dimethylnonyl)-1-ethylcyclohexane;1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]cyclohexene;1-(4,8-dimethylnonyl)-4-(6,10-dimethylundecan-2-yl)cyclohexane
CID 157419931
[1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethylideneamino]urea
CID 2840433

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpentyl)cyclohexene?
The IUPAC name of 4-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpentyl)cyclohexene (CID 170652574) is 4-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpentyl)cyclohexene.
What is the SMILES notation for 4-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpentyl)cyclohexene?
The canonical SMILES for 4-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpentyl)cyclohexene is C=C(CCC=C(C)C)C1CC=C(CCCC(C)C)CC1.
What is the InChIKey of 4-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpentyl)cyclohexene?
The InChIKey is CWDFQKYRCKWZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-16(2)8-6-10-18(5)20-14-12-19(13-15-20)11-7-9-17(3)4/h8,12,17,20H,5-7,9-11,13-15H2,1-4H3.
What are the key properties of 4-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpentyl)cyclohexene?
4-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpentyl)cyclohexene has a molecular weight of 274.49 g/mol, XLogP of 6.84, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpentyl)cyclohexene is sourced from PubChem (CID 170652574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).