1-tert-butyl-2-methylidenecyclohexane

C11H20 — CID 13449626

IUPAC1-tert-butyl-2-methylidenecyclohexane
SMILESC=C1CCCCC1C(C)(C)C
InChIInChI=1S/C11H20/c1-9-7-5-6-8-10(9)11(2,3)4/h10H,1,5-8H2,2-4H3
InChIKeyOWVUWGDLSRSKEC-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds

About 1-tert-butyl-2-methylidenecyclohexane

1-tert-butyl-2-methylidenecyclohexane (PubChem CID 13449626) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-tert-butyl-2-methylidenecyclohexane.

Molecular Properties

Compound Name1-tert-butyl-2-methylidenecyclohexane
PubChem CID13449626
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-tert-butyl-2-methylidenecyclohexane
SMILESC=C1CCCCC1C(C)(C)C
InChIInChI=1S/C11H20/c1-9-7-5-6-8-10(9)11(2,3)4/h10H,1,5-8H2,2-4H3
InChIKeyOWVUWGDLSRSKEC-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.78
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-tert-butyl-2-methylidenecyclohexane?
The IUPAC name of 1-tert-butyl-2-methylidenecyclohexane (CID 13449626) is 1-tert-butyl-2-methylidenecyclohexane.
What is the SMILES notation for 1-tert-butyl-2-methylidenecyclohexane?
The canonical SMILES for 1-tert-butyl-2-methylidenecyclohexane is C=C1CCCCC1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methylidenecyclohexane?
The InChIKey is OWVUWGDLSRSKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-9-7-5-6-8-10(9)11(2,3)4/h10H,1,5-8H2,2-4H3.
What are the key properties of 1-tert-butyl-2-methylidenecyclohexane?
1-tert-butyl-2-methylidenecyclohexane has a molecular weight of 152.28 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methylidenecyclohexane is sourced from PubChem (CID 13449626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).