3-(4-hydroxybut-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol

C11H20O2 — CID 14336615

IUPAC3-(4-hydroxybut-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol
SMILESC=C(CCO)C1CCC(C)(O)C1C
InChIInChI=1S/C11H20O2/c1-8(5-7-12)10-4-6-11(3,13)9(10)2/h9-10,12-13H,1,4-7H2,2-3H3
InChIKeyURCGIPRBVGJSJV-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.72
Rot. Bonds3

About 3-(4-hydroxybut-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol

3-(4-hydroxybut-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol (PubChem CID 14336615) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name3-(4-hydroxybut-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol
PubChem CID14336615
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-(4-hydroxybut-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol
SMILESC=C(CCO)C1CCC(C)(O)C1C
InChIInChI=1S/C11H20O2/c1-8(5-7-12)10-4-6-11(3,13)9(10)2/h9-10,12-13H,1,4-7H2,2-3H3
InChIKeyURCGIPRBVGJSJV-UHFFFAOYSA-N
XLogP1.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Plinol
CID 20046
(-)-Chokol A
CID 181328
3-(1-(3-Hydroxypropyl)vinyl)-1,2-dimethylcyclopentanol
CID 500065
Chokol E
CID 180085
Chokol G
CID 180087
Chokol C
CID 6442580
Teucladiol
CID 16046185
(1R,2S,3R)-3-[(5Z)-7-hydroxy-6-methylhepta-1,5-dien-2-yl]-1,2-dimethylcyclopentan-1-ol
CID 13988224
4beta,6beta-dihydroxy-1alpha,5beta(H)-guai-9-ene
CID 101713147
Chokol B
CID 181329
CID 14336607
CID 14336607
3-(7-Hydroxy-6-methylhepta-1,5-dien-2-yl)-1,2-dimethylcyclopentan-1-ol
CID 78410247

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol?
The IUPAC name of 3-(4-hydroxybut-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol (CID 14336615) is 3-(4-hydroxybut-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 3-(4-hydroxybut-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 3-(4-hydroxybut-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol is C=C(CCO)C1CCC(C)(O)C1C.
What is the InChIKey of 3-(4-hydroxybut-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol?
The InChIKey is URCGIPRBVGJSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(5-7-12)10-4-6-11(3,13)9(10)2/h9-10,12-13H,1,4-7H2,2-3H3.
What are the key properties of 3-(4-hydroxybut-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol?
3-(4-hydroxybut-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-en-2-yl)-1,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 14336615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).