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

C13H24 — CID 5364470

IUPAC[(E)-hept-1-enyl]cyclohexane
SMILESCCCCC/C=C/C1CCCCC1
InChIInChI=1S/C13H24/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h7,10,13H,2-6,8-9,11-12H2,1H3/b10-7+
InChIKeyFMPLSIBZVZBNCH-JXMROGBWSA-N
MW180.33 g/mol
LogP4.70
Rot. Bonds5

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

[(E)-hept-1-enyl]cyclohexane (PubChem CID 5364470) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is [(E)-hept-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-hept-1-enyl]cyclohexane
PubChem CID5364470
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name[(E)-hept-1-enyl]cyclohexane
SMILESCCCCC/C=C/C1CCCCC1
InChIInChI=1S/C13H24/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h7,10,13H,2-6,8-9,11-12H2,1H3/b10-7+
InChIKeyFMPLSIBZVZBNCH-JXMROGBWSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-hept-1-enyl]cyclohexane?
The IUPAC name of [(E)-hept-1-enyl]cyclohexane (CID 5364470) is [(E)-hept-1-enyl]cyclohexane.
What is the SMILES notation for [(E)-hept-1-enyl]cyclohexane?
The canonical SMILES for [(E)-hept-1-enyl]cyclohexane is CCCCC/C=C/C1CCCCC1.
What is the InChIKey of [(E)-hept-1-enyl]cyclohexane?
The InChIKey is FMPLSIBZVZBNCH-JXMROGBWSA-N. The full InChI is InChI=1S/C13H24/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h7,10,13H,2-6,8-9,11-12H2,1H3/b10-7+.
What are the key properties of [(E)-hept-1-enyl]cyclohexane?
[(E)-hept-1-enyl]cyclohexane has a molecular weight of 180.33 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hept-1-enyl]cyclohexane is sourced from PubChem (CID 5364470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).