3-methyl-5-[(E)-prop-1-enyl]cyclohexene

C10H16 — CID 12571842

IUPAC3-methyl-5-[(E)-prop-1-enyl]cyclohexene
SMILESC/C=C/C1CC=CC(C)C1
InChIInChI=1S/C10H16/c1-3-5-10-7-4-6-9(2)8-10/h3-6,9-10H,7-8H2,1-2H3/b5-3+
InChIKeyJLBBERLCZSJBCZ-HWKANZROSA-N
MW136.24 g/mol
LogP3.16
Rot. Bonds1

About 3-methyl-5-[(E)-prop-1-enyl]cyclohexene

3-methyl-5-[(E)-prop-1-enyl]cyclohexene (PubChem CID 12571842) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 3-methyl-5-[(E)-prop-1-enyl]cyclohexene.

Molecular Properties

Compound Name3-methyl-5-[(E)-prop-1-enyl]cyclohexene
PubChem CID12571842
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name3-methyl-5-[(E)-prop-1-enyl]cyclohexene
SMILESC/C=C/C1CC=CC(C)C1
InChIInChI=1S/C10H16/c1-3-5-10-7-4-6-9(2)8-10/h3-6,9-10H,7-8H2,1-2H3/b5-3+
InChIKeyJLBBERLCZSJBCZ-HWKANZROSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.16
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 3-methyl-5-[(E)-prop-1-enyl]cyclohexene?
The IUPAC name of 3-methyl-5-[(E)-prop-1-enyl]cyclohexene (CID 12571842) is 3-methyl-5-[(E)-prop-1-enyl]cyclohexene.
What is the SMILES notation for 3-methyl-5-[(E)-prop-1-enyl]cyclohexene?
The canonical SMILES for 3-methyl-5-[(E)-prop-1-enyl]cyclohexene is C/C=C/C1CC=CC(C)C1.
What is the InChIKey of 3-methyl-5-[(E)-prop-1-enyl]cyclohexene?
The InChIKey is JLBBERLCZSJBCZ-HWKANZROSA-N. The full InChI is InChI=1S/C10H16/c1-3-5-10-7-4-6-9(2)8-10/h3-6,9-10H,7-8H2,1-2H3/b5-3+.
What are the key properties of 3-methyl-5-[(E)-prop-1-enyl]cyclohexene?
3-methyl-5-[(E)-prop-1-enyl]cyclohexene has a molecular weight of 136.24 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(E)-prop-1-enyl]cyclohexene is sourced from PubChem (CID 12571842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).