1-(2-methylbutan-2-yl)-4-methylidenecyclohexane

C12H22 — CID 23396027

IUPAC1-(2-methylbutan-2-yl)-4-methylidenecyclohexane
SMILESC=C1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C12H22/c1-5-12(3,4)11-8-6-10(2)7-9-11/h11H,2,5-9H2,1,3-4H3
InChIKeyWXZPUFINJWBMMS-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.17
Rot. Bonds2

About 1-(2-methylbutan-2-yl)-4-methylidenecyclohexane

1-(2-methylbutan-2-yl)-4-methylidenecyclohexane (PubChem CID 23396027) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-4-methylidenecyclohexane.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-4-methylidenecyclohexane
PubChem CID23396027
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-(2-methylbutan-2-yl)-4-methylidenecyclohexane
SMILESC=C1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C12H22/c1-5-12(3,4)11-8-6-10(2)7-9-11/h11H,2,5-9H2,1,3-4H3
InChIKeyWXZPUFINJWBMMS-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.17
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 1-(2-methylbutan-2-yl)-4-methylidenecyclohexane?
The IUPAC name of 1-(2-methylbutan-2-yl)-4-methylidenecyclohexane (CID 23396027) is 1-(2-methylbutan-2-yl)-4-methylidenecyclohexane.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-4-methylidenecyclohexane?
The canonical SMILES for 1-(2-methylbutan-2-yl)-4-methylidenecyclohexane is C=C1CCC(C(C)(C)CC)CC1.
What is the InChIKey of 1-(2-methylbutan-2-yl)-4-methylidenecyclohexane?
The InChIKey is WXZPUFINJWBMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-12(3,4)11-8-6-10(2)7-9-11/h11H,2,5-9H2,1,3-4H3.
What are the key properties of 1-(2-methylbutan-2-yl)-4-methylidenecyclohexane?
1-(2-methylbutan-2-yl)-4-methylidenecyclohexane has a molecular weight of 166.31 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-4-methylidenecyclohexane is sourced from PubChem (CID 23396027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).