[(1E)-4-methylpenta-1,3-dienyl]cyclohexane

C12H20 — CID 11116399

IUPAC[(1E)-4-methylpenta-1,3-dienyl]cyclohexane
SMILESCC(C)=C/C=C/C1CCCCC1
InChIInChI=1S/C12H20/c1-11(2)7-6-10-12-8-4-3-5-9-12/h6-7,10,12H,3-5,8-9H2,1-2H3/b10-6+
InChIKeyMLOXMWMDLHELAO-UXBLZVDNSA-N
MW164.29 g/mol
LogP4.09
Rot. Bonds2

About [(1E)-4-methylpenta-1,3-dienyl]cyclohexane

[(1E)-4-methylpenta-1,3-dienyl]cyclohexane (PubChem CID 11116399) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is [(1E)-4-methylpenta-1,3-dienyl]cyclohexane.

Molecular Properties

Compound Name[(1E)-4-methylpenta-1,3-dienyl]cyclohexane
PubChem CID11116399
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name[(1E)-4-methylpenta-1,3-dienyl]cyclohexane
SMILESCC(C)=C/C=C/C1CCCCC1
InChIInChI=1S/C12H20/c1-11(2)7-6-10-12-8-4-3-5-9-12/h6-7,10,12H,3-5,8-9H2,1-2H3/b10-6+
InChIKeyMLOXMWMDLHELAO-UXBLZVDNSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
alpha-PHELLANDRENE
CID 7460
Alpha-Terpinene
CID 7462
Beta-Phellandrene
CID 11142
alpha-PHELLANDRENE, (-)-
CID 442482
Beta-Bisabolene
CID 10104370
Germacrene D
CID 5317570
(+)-alpha-Phellandrene
CID 443160
alpha-Bisabolene
CID 86597
(6E)-6-((2E,4E,6E)-3,7-Dimethyl-2,4,6,8-nonatetraen-1-ylidene)-1,5,5-trimethylcyclohexene
CID 5287678

Frequently Asked Questions

What is the IUPAC name of [(1E)-4-methylpenta-1,3-dienyl]cyclohexane?
The IUPAC name of [(1E)-4-methylpenta-1,3-dienyl]cyclohexane (CID 11116399) is [(1E)-4-methylpenta-1,3-dienyl]cyclohexane.
What is the SMILES notation for [(1E)-4-methylpenta-1,3-dienyl]cyclohexane?
The canonical SMILES for [(1E)-4-methylpenta-1,3-dienyl]cyclohexane is CC(C)=C/C=C/C1CCCCC1.
What is the InChIKey of [(1E)-4-methylpenta-1,3-dienyl]cyclohexane?
The InChIKey is MLOXMWMDLHELAO-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H20/c1-11(2)7-6-10-12-8-4-3-5-9-12/h6-7,10,12H,3-5,8-9H2,1-2H3/b10-6+.
What are the key properties of [(1E)-4-methylpenta-1,3-dienyl]cyclohexane?
[(1E)-4-methylpenta-1,3-dienyl]cyclohexane has a molecular weight of 164.29 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-4-methylpenta-1,3-dienyl]cyclohexane is sourced from PubChem (CID 11116399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).