2-(cyclopenten-1-ylmethyl)butan-1-ol

C10H18O — CID 131227127

IUPAC2-(cyclopenten-1-ylmethyl)butan-1-ol
SMILESCCC(CO)CC1=CCCC1
InChIInChI=1S/C10H18O/c1-2-9(8-11)7-10-5-3-4-6-10/h5,9,11H,2-4,6-8H2,1H3
InChIKeyNCXLXHVSTJPLCG-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.51
Rot. Bonds4

About 2-(cyclopenten-1-ylmethyl)butan-1-ol

2-(cyclopenten-1-ylmethyl)butan-1-ol (PubChem CID 131227127) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-(cyclopenten-1-ylmethyl)butan-1-ol.

Molecular Properties

Compound Name2-(cyclopenten-1-ylmethyl)butan-1-ol
PubChem CID131227127
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-(cyclopenten-1-ylmethyl)butan-1-ol
SMILESCCC(CO)CC1=CCCC1
InChIInChI=1S/C10H18O/c1-2-9(8-11)7-10-5-3-4-6-10/h5,9,11H,2-4,6-8H2,1H3
InChIKeyNCXLXHVSTJPLCG-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-4-ethyloctan-2-ol
CID 116660029
2-(cyclopenten-1-yl)butan-1-ol
CID 70396066
1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol
CID 12622752
1-[2-(chloromethyl)pent-4-enyl]cyclopentene
CID 165443456
1-(cyclohexen-1-yl)-3-methylhexan-2-ol
CID 107893039
3-(cyclohexen-1-yl)-2-methylpropanoic acid
CID 54053706
1-(cyclohexen-1-yl)-4-methylpentan-2-ol
CID 12869932
ethane;1-(2-methylpentyl)cyclohexene
CID 144539810
1-(2-phenylbutyl)cycloheptene
CID 143290808
3,3-dichloro-1-(cyclohexen-1-yl)butan-2-amine
CID 91552603
1-(cyclohexen-1-yl)-N-ethyl-3-methylbut-3-en-2-amine
CID 116661717
cyclododecen-1-ylmethanol
CID 70464862

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-ylmethyl)butan-1-ol?
The IUPAC name of 2-(cyclopenten-1-ylmethyl)butan-1-ol (CID 131227127) is 2-(cyclopenten-1-ylmethyl)butan-1-ol.
What is the SMILES notation for 2-(cyclopenten-1-ylmethyl)butan-1-ol?
The canonical SMILES for 2-(cyclopenten-1-ylmethyl)butan-1-ol is CCC(CO)CC1=CCCC1.
What is the InChIKey of 2-(cyclopenten-1-ylmethyl)butan-1-ol?
The InChIKey is NCXLXHVSTJPLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-9(8-11)7-10-5-3-4-6-10/h5,9,11H,2-4,6-8H2,1H3.
What are the key properties of 2-(cyclopenten-1-ylmethyl)butan-1-ol?
2-(cyclopenten-1-ylmethyl)butan-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-ylmethyl)butan-1-ol is sourced from PubChem (CID 131227127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).