1-[(E)-hept-1-enyl]cyclohexene

C13H22 — CID 173298368

IUPAC1-[(E)-hept-1-enyl]cyclohexene
SMILESCCCCC/C=C/C1=CCCCC1
InChIInChI=1S/C13H22/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h7,10-11H,2-6,8-9,12H2,1H3/b10-7+
InChIKeyZLUUFFOECXWQLY-JXMROGBWSA-N
MW178.32 g/mol
LogP4.62
Rot. Bonds5

About 1-[(E)-hept-1-enyl]cyclohexene

1-[(E)-hept-1-enyl]cyclohexene (PubChem CID 173298368) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1-[(E)-hept-1-enyl]cyclohexene.

Molecular Properties

Compound Name1-[(E)-hept-1-enyl]cyclohexene
PubChem CID173298368
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1-[(E)-hept-1-enyl]cyclohexene
SMILESCCCCC/C=C/C1=CCCCC1
InChIInChI=1S/C13H22/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h7,10-11H,2-6,8-9,12H2,1H3/b10-7+
InChIKeyZLUUFFOECXWQLY-JXMROGBWSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-octadec-9-enylcyclohexene
CID 123690376
1-[(Z)-prop-1-enyl]cycloheptene
CID 135080303
[(E)-2-(cyclohexen-1-yl)ethenyl]-methyl-propan-2-ylphosphane
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ethane;1-[(1E,3E)-nona-1,3-dienyl]cyclohexa-1,3-diene
CID 142101264
2-(cyclohexen-1-yl)-N,N-dimethylethenamine
CID 71333973
1-ethenylcyclohexene;2-tetradecyloxirane
CID 158468491
1-[(Z)-2-butyltellanyl-2-iodoethenyl]cyclohexene
CID 101009805
1-decyl-4-hept-1-enylbenzene
CID 173045869
3-[(E)-hex-1-enyl]cyclopent-2-en-1-one
CID 22395801

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-hept-1-enyl]cyclohexene?
The IUPAC name of 1-[(E)-hept-1-enyl]cyclohexene (CID 173298368) is 1-[(E)-hept-1-enyl]cyclohexene.
What is the SMILES notation for 1-[(E)-hept-1-enyl]cyclohexene?
The canonical SMILES for 1-[(E)-hept-1-enyl]cyclohexene is CCCCC/C=C/C1=CCCCC1.
What is the InChIKey of 1-[(E)-hept-1-enyl]cyclohexene?
The InChIKey is ZLUUFFOECXWQLY-JXMROGBWSA-N. The full InChI is InChI=1S/C13H22/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h7,10-11H,2-6,8-9,12H2,1H3/b10-7+.
What are the key properties of 1-[(E)-hept-1-enyl]cyclohexene?
1-[(E)-hept-1-enyl]cyclohexene has a molecular weight of 178.32 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hept-1-enyl]cyclohexene is sourced from PubChem (CID 173298368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).