(3E)-1-methyl-3-pentylidenecyclohexane

C12H22 — CID 6377600

IUPAC(3E)-1-methyl-3-pentylidenecyclohexane
SMILESCCCC/C=C1\CCCC(C)C1
InChIInChI=1S/C12H22/c1-3-4-5-8-12-9-6-7-11(2)10-12/h8,11H,3-7,9-10H2,1-2H3/b12-8+
InChIKeyRPDYODFMWVFGTH-XYOKQWHBSA-N
MW166.31 g/mol
LogP4.31
Rot. Bonds3

About (3E)-1-methyl-3-pentylidenecyclohexane

(3E)-1-methyl-3-pentylidenecyclohexane (PubChem CID 6377600) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (3E)-1-methyl-3-pentylidenecyclohexane.

Molecular Properties

Compound Name(3E)-1-methyl-3-pentylidenecyclohexane
PubChem CID6377600
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(3E)-1-methyl-3-pentylidenecyclohexane
SMILESCCCC/C=C1\CCCC(C)C1
InChIInChI=1S/C12H22/c1-3-4-5-8-12-9-6-7-11(2)10-12/h8,11H,3-7,9-10H2,1-2H3/b12-8+
InChIKeyRPDYODFMWVFGTH-XYOKQWHBSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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 (3E)-1-methyl-3-pentylidenecyclohexane?
The IUPAC name of (3E)-1-methyl-3-pentylidenecyclohexane (CID 6377600) is (3E)-1-methyl-3-pentylidenecyclohexane.
What is the SMILES notation for (3E)-1-methyl-3-pentylidenecyclohexane?
The canonical SMILES for (3E)-1-methyl-3-pentylidenecyclohexane is CCCC/C=C1\CCCC(C)C1.
What is the InChIKey of (3E)-1-methyl-3-pentylidenecyclohexane?
The InChIKey is RPDYODFMWVFGTH-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H22/c1-3-4-5-8-12-9-6-7-11(2)10-12/h8,11H,3-7,9-10H2,1-2H3/b12-8+.
What are the key properties of (3E)-1-methyl-3-pentylidenecyclohexane?
(3E)-1-methyl-3-pentylidenecyclohexane has a molecular weight of 166.31 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-methyl-3-pentylidenecyclohexane is sourced from PubChem (CID 6377600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).