4,4-dimethylpentan-2-ylidenecyclohexane

C13H24 — CID 163726131

IUPAC4,4-dimethylpentan-2-ylidenecyclohexane
SMILESCC(CC(C)(C)C)=C1CCCCC1
InChIInChI=1S/C13H24/c1-11(10-13(2,3)4)12-8-6-5-7-9-12/h5-10H2,1-4H3
InChIKeyKVSMFHFCEDYGEY-UHFFFAOYSA-N
MW180.34 g/mol
LogP4.70
Rot. Bonds1

About 4,4-dimethylpentan-2-ylidenecyclohexane

4,4-dimethylpentan-2-ylidenecyclohexane (PubChem CID 163726131) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is 4,4-dimethylpentan-2-ylidenecyclohexane.

Molecular Properties

Compound Name4,4-dimethylpentan-2-ylidenecyclohexane
PubChem CID163726131
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name4,4-dimethylpentan-2-ylidenecyclohexane
SMILESCC(CC(C)(C)C)=C1CCCCC1
InChIInChI=1S/C13H24/c1-11(10-13(2,3)4)12-8-6-5-7-9-12/h5-10H2,1-4H3
InChIKeyKVSMFHFCEDYGEY-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.70
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 4,4-dimethylpentan-2-ylidenecyclohexane?
The IUPAC name of 4,4-dimethylpentan-2-ylidenecyclohexane (CID 163726131) is 4,4-dimethylpentan-2-ylidenecyclohexane.
What is the SMILES notation for 4,4-dimethylpentan-2-ylidenecyclohexane?
The canonical SMILES for 4,4-dimethylpentan-2-ylidenecyclohexane is CC(CC(C)(C)C)=C1CCCCC1.
What is the InChIKey of 4,4-dimethylpentan-2-ylidenecyclohexane?
The InChIKey is KVSMFHFCEDYGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-11(10-13(2,3)4)12-8-6-5-7-9-12/h5-10H2,1-4H3.
What are the key properties of 4,4-dimethylpentan-2-ylidenecyclohexane?
4,4-dimethylpentan-2-ylidenecyclohexane has a molecular weight of 180.34 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentan-2-ylidenecyclohexane is sourced from PubChem (CID 163726131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).