2-(2-methylbutan-2-yl)cyclohex-2-en-1-ol

C11H20O — CID 129019519

IUPAC2-(2-methylbutan-2-yl)cyclohex-2-en-1-ol
SMILESCCC(C)(C)C1=CCCCC1O
InChIInChI=1S/C11H20O/c1-4-11(2,3)9-7-5-6-8-10(9)12/h7,10,12H,4-6,8H2,1-3H3
InChIKeyKHRKZYOELBELBI-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds2

About 2-(2-methylbutan-2-yl)cyclohex-2-en-1-ol

2-(2-methylbutan-2-yl)cyclohex-2-en-1-ol (PubChem CID 129019519) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)cyclohex-2-en-1-ol
PubChem CID129019519
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-(2-methylbutan-2-yl)cyclohex-2-en-1-ol
SMILESCCC(C)(C)C1=CCCCC1O
InChIInChI=1S/C11H20O/c1-4-11(2,3)9-7-5-6-8-10(9)12/h7,10,12H,4-6,8H2,1-3H3
InChIKeyKHRKZYOELBELBI-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2-methylbutan-2-yl)cyclohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)cyclohex-2-en-1-ol?
The IUPAC name of 2-(2-methylbutan-2-yl)cyclohex-2-en-1-ol (CID 129019519) is 2-(2-methylbutan-2-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 2-(2-methylbutan-2-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 2-(2-methylbutan-2-yl)cyclohex-2-en-1-ol is CCC(C)(C)C1=CCCCC1O.
What is the InChIKey of 2-(2-methylbutan-2-yl)cyclohex-2-en-1-ol?
The InChIKey is KHRKZYOELBELBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-11(2,3)9-7-5-6-8-10(9)12/h7,10,12H,4-6,8H2,1-3H3.
What are the key properties of 2-(2-methylbutan-2-yl)cyclohex-2-en-1-ol?
2-(2-methylbutan-2-yl)cyclohex-2-en-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 129019519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).