3-methyl-1-pentan-2-ylcyclopent-3-en-1-ol

C11H20O — CID 139771581

IUPAC3-methyl-1-pentan-2-ylcyclopent-3-en-1-ol
SMILESCCCC(C)C1(O)CC=C(C)C1
InChIInChI=1S/C11H20O/c1-4-5-10(3)11(12)7-6-9(2)8-11/h6,10,12H,4-5,7-8H2,1-3H3
InChIKeyDKUWFZATVDXTHJ-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds3

About 3-methyl-1-pentan-2-ylcyclopent-3-en-1-ol

3-methyl-1-pentan-2-ylcyclopent-3-en-1-ol (PubChem CID 139771581) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-methyl-1-pentan-2-ylcyclopent-3-en-1-ol.

Molecular Properties

Compound Name3-methyl-1-pentan-2-ylcyclopent-3-en-1-ol
PubChem CID139771581
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-methyl-1-pentan-2-ylcyclopent-3-en-1-ol
SMILESCCCC(C)C1(O)CC=C(C)C1
InChIInChI=1S/C11H20O/c1-4-5-10(3)11(12)7-6-9(2)8-11/h6,10,12H,4-5,7-8H2,1-3H3
InChIKeyDKUWFZATVDXTHJ-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 3-methyl-1-pentan-2-ylcyclopent-3-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

Related Compounds

4-methyl-1-[(2R)-6-methylhept-6-en-2-yl]cyclohex-3-en-1-ol
CID 142209566
1-pentan-2-yl-3-propan-2-ylcyclobutan-1-ol
CID 107892837
(1S)-1-[(2S)-7-hydroxy-6-methylhept-5-en-2-yl]-4-methylcyclohex-3-en-1-ol
CID 170990830
4-amino-1-pentan-2-ylcyclohexan-1-ol
CID 107889037
4-pentan-2-yl-1-phenylpiperidin-4-ol
CID 114013455
1-hexan-2-ylcyclopropan-1-ol
CID 126975313
2-(1-hydroxy-4-methylcyclohex-3-en-1-yl)propoxy thiohypoiodite
CID 142209565
(5S)-5-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one
CID 45096415
(4aR,8aS)-6-methyl-1,2,3,4,5,8-hexahydronaphthalene-4a,8a-diol
CID 102105199
1-methyl-1-pentan-2-ylcyclopropane
CID 57204658
ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate
CID 158121003
2-pentan-2-yl-1,3-dihydroinden-2-amine
CID 107892275

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pentan-2-ylcyclopent-3-en-1-ol?
The IUPAC name of 3-methyl-1-pentan-2-ylcyclopent-3-en-1-ol (CID 139771581) is 3-methyl-1-pentan-2-ylcyclopent-3-en-1-ol.
What is the SMILES notation for 3-methyl-1-pentan-2-ylcyclopent-3-en-1-ol?
The canonical SMILES for 3-methyl-1-pentan-2-ylcyclopent-3-en-1-ol is CCCC(C)C1(O)CC=C(C)C1.
What is the InChIKey of 3-methyl-1-pentan-2-ylcyclopent-3-en-1-ol?
The InChIKey is DKUWFZATVDXTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-5-10(3)11(12)7-6-9(2)8-11/h6,10,12H,4-5,7-8H2,1-3H3.
What are the key properties of 3-methyl-1-pentan-2-ylcyclopent-3-en-1-ol?
3-methyl-1-pentan-2-ylcyclopent-3-en-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pentan-2-ylcyclopent-3-en-1-ol is sourced from PubChem (CID 139771581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).