4,4-dimethyl-1-propan-2-ylcyclohexene;ethane

C13H26 — CID 169162938

IUPAC4,4-dimethyl-1-propan-2-ylcyclohexene;ethane
SMILESCC.CC(C)C1=CCC(C)(C)CC1
InChIInChI=1S/C11H20.C2H6/c1-9(2)10-5-7-11(3,4)8-6-10;1-2/h5,9H,6-8H2,1-4H3;1-2H3
InChIKeyJSVMVIHICLSILC-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.81
Rot. Bonds1

About 4,4-dimethyl-1-propan-2-ylcyclohexene;ethane

4,4-dimethyl-1-propan-2-ylcyclohexene;ethane (PubChem CID 169162938) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 4,4-dimethyl-1-propan-2-ylcyclohexene;ethane.

Molecular Properties

Compound Name4,4-dimethyl-1-propan-2-ylcyclohexene;ethane
PubChem CID169162938
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name4,4-dimethyl-1-propan-2-ylcyclohexene;ethane
SMILESCC.CC(C)C1=CCC(C)(C)CC1
InChIInChI=1S/C11H20.C2H6/c1-9(2)10-5-7-11(3,4)8-6-10;1-2/h5,9H,6-8H2,1-4H3;1-2H3
InChIKeyJSVMVIHICLSILC-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.81
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-dimethyl-1-propan-2-ylcyclohexene;ethane?
The IUPAC name of 4,4-dimethyl-1-propan-2-ylcyclohexene;ethane (CID 169162938) is 4,4-dimethyl-1-propan-2-ylcyclohexene;ethane.
What is the SMILES notation for 4,4-dimethyl-1-propan-2-ylcyclohexene;ethane?
The canonical SMILES for 4,4-dimethyl-1-propan-2-ylcyclohexene;ethane is CC.CC(C)C1=CCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-1-propan-2-ylcyclohexene;ethane?
The InChIKey is JSVMVIHICLSILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.C2H6/c1-9(2)10-5-7-11(3,4)8-6-10;1-2/h5,9H,6-8H2,1-4H3;1-2H3.
What are the key properties of 4,4-dimethyl-1-propan-2-ylcyclohexene;ethane?
4,4-dimethyl-1-propan-2-ylcyclohexene;ethane has a molecular weight of 182.35 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-propan-2-ylcyclohexene;ethane is sourced from PubChem (CID 169162938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).