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

C12H22 — CID 5365684

IUPAC[(E)-hex-1-enyl]cyclohexane
SMILESCCCC/C=C/C1CCCCC1
InChIInChI=1S/C12H22/c1-2-3-4-6-9-12-10-7-5-8-11-12/h6,9,12H,2-5,7-8,10-11H2,1H3/b9-6+
InChIKeyBZXPGCFEDHGUBB-RMKNXTFCSA-N
MW166.31 g/mol
LogP4.31
Rot. Bonds4

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

[(E)-hex-1-enyl]cyclohexane (PubChem CID 5365684) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is [(E)-hex-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-hex-1-enyl]cyclohexane
PubChem CID5365684
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name[(E)-hex-1-enyl]cyclohexane
SMILESCCCC/C=C/C1CCCCC1
InChIInChI=1S/C12H22/c1-2-3-4-6-9-12-10-7-5-8-11-12/h6,9,12H,2-5,7-8,10-11H2,1H3/b9-6+
InChIKeyBZXPGCFEDHGUBB-RMKNXTFCSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.31
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)-hex-1-enyl]cyclohexane?
The IUPAC name of [(E)-hex-1-enyl]cyclohexane (CID 5365684) is [(E)-hex-1-enyl]cyclohexane.
What is the SMILES notation for [(E)-hex-1-enyl]cyclohexane?
The canonical SMILES for [(E)-hex-1-enyl]cyclohexane is CCCC/C=C/C1CCCCC1.
What is the InChIKey of [(E)-hex-1-enyl]cyclohexane?
The InChIKey is BZXPGCFEDHGUBB-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H22/c1-2-3-4-6-9-12-10-7-5-8-11-12/h6,9,12H,2-5,7-8,10-11H2,1H3/b9-6+.
What are the key properties of [(E)-hex-1-enyl]cyclohexane?
[(E)-hex-1-enyl]cyclohexane has a molecular weight of 166.31 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-1-enyl]cyclohexane is sourced from PubChem (CID 5365684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).