2-cyclopent-3-en-1-yl-1-(oxan-3-yl)ethanol

C12H20O2 — CID 164652637

IUPAC2-cyclopent-3-en-1-yl-1-(oxan-3-yl)ethanol
SMILESOC(CC1CC=CC1)C1CCCOC1
InChIInChI=1S/C12H20O2/c13-12(8-10-4-1-2-5-10)11-6-3-7-14-9-11/h1-2,10-13H,3-9H2
InChIKeyOBTXEDMOYIVCNY-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.13
Rot. Bonds3

About 2-cyclopent-3-en-1-yl-1-(oxan-3-yl)ethanol

2-cyclopent-3-en-1-yl-1-(oxan-3-yl)ethanol (PubChem CID 164652637) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-cyclopent-3-en-1-yl-1-(oxan-3-yl)ethanol.

Molecular Properties

Compound Name2-cyclopent-3-en-1-yl-1-(oxan-3-yl)ethanol
PubChem CID164652637
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-cyclopent-3-en-1-yl-1-(oxan-3-yl)ethanol
SMILESOC(CC1CC=CC1)C1CCCOC1
InChIInChI=1S/C12H20O2/c13-12(8-10-4-1-2-5-10)11-6-3-7-14-9-11/h1-2,10-13H,3-9H2
InChIKeyOBTXEDMOYIVCNY-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-1-(oxan-3-yl)ethanol
CID 107136154
1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol
CID 107136105
3-hydroxy-3-(oxan-3-yl)propanenitrile
CID 79119299
3-methyl-1-(oxan-3-yl)but-3-en-1-ol
CID 79178468
2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol
CID 107136109
1-(oxan-3-yl)pent-4-yn-1-ol
CID 63901178
1-cyclobutyl-2-cyclopropylethanol
CID 64986544
3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol
CID 107135741
N-(cyclohex-3-en-1-ylmethyl)oxan-3-amine
CID 63360374
2-(2-methylphenyl)-1-(oxan-3-yl)ethanol
CID 63013338
ethyl (3S)-3-hydroxy-3-[(3S)-oxan-3-yl]propanoate
CID 124508739
4-(oxan-3-yl)pentan-2-ol
CID 107137854

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-3-en-1-yl-1-(oxan-3-yl)ethanol?
The IUPAC name of 2-cyclopent-3-en-1-yl-1-(oxan-3-yl)ethanol (CID 164652637) is 2-cyclopent-3-en-1-yl-1-(oxan-3-yl)ethanol.
What is the SMILES notation for 2-cyclopent-3-en-1-yl-1-(oxan-3-yl)ethanol?
The canonical SMILES for 2-cyclopent-3-en-1-yl-1-(oxan-3-yl)ethanol is OC(CC1CC=CC1)C1CCCOC1.
What is the InChIKey of 2-cyclopent-3-en-1-yl-1-(oxan-3-yl)ethanol?
The InChIKey is OBTXEDMOYIVCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-12(8-10-4-1-2-5-10)11-6-3-7-14-9-11/h1-2,10-13H,3-9H2.
What are the key properties of 2-cyclopent-3-en-1-yl-1-(oxan-3-yl)ethanol?
2-cyclopent-3-en-1-yl-1-(oxan-3-yl)ethanol has a molecular weight of 196.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-3-en-1-yl-1-(oxan-3-yl)ethanol is sourced from PubChem (CID 164652637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).