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

C9H16 — CID 5358314

IUPAC[(E)-prop-1-enyl]cyclohexane
SMILESC/C=C/C1CCCCC1
InChIInChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h2,6,9H,3-5,7-8H2,1H3/b6-2+
InChIKeyIAHIMVFWYADCJJ-QHHAFSJGSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds1

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

[(E)-prop-1-enyl]cyclohexane (PubChem CID 5358314) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is [(E)-prop-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-prop-1-enyl]cyclohexane
PubChem CID5358314
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name[(E)-prop-1-enyl]cyclohexane
SMILESC/C=C/C1CCCCC1
InChIInChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h2,6,9H,3-5,7-8H2,1H3/b6-2+
InChIKeyIAHIMVFWYADCJJ-QHHAFSJGSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-prop-1-enyl]cyclohexane?
The IUPAC name of [(E)-prop-1-enyl]cyclohexane (CID 5358314) is [(E)-prop-1-enyl]cyclohexane.
What is the SMILES notation for [(E)-prop-1-enyl]cyclohexane?
The canonical SMILES for [(E)-prop-1-enyl]cyclohexane is C/C=C/C1CCCCC1.
What is the InChIKey of [(E)-prop-1-enyl]cyclohexane?
The InChIKey is IAHIMVFWYADCJJ-QHHAFSJGSA-N. The full InChI is InChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h2,6,9H,3-5,7-8H2,1H3/b6-2+.
What are the key properties of [(E)-prop-1-enyl]cyclohexane?
[(E)-prop-1-enyl]cyclohexane has a molecular weight of 124.23 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-prop-1-enyl]cyclohexane is sourced from PubChem (CID 5358314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).