2-but-2-enylcyclobutan-1-ol

C8H14O — CID 71372115

IUPAC2-but-2-enylcyclobutan-1-ol
SMILESCC=CCC1CCC1O
InChIInChI=1S/C8H14O/c1-2-3-4-7-5-6-8(7)9/h2-3,7-9H,4-6H2,1H3
InChIKeyFTJRRQQORZDAQZ-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.72
Rot. Bonds2

About 2-but-2-enylcyclobutan-1-ol

2-but-2-enylcyclobutan-1-ol (PubChem CID 71372115) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-but-2-enylcyclobutan-1-ol.

Molecular Properties

Compound Name2-but-2-enylcyclobutan-1-ol
PubChem CID71372115
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-but-2-enylcyclobutan-1-ol
SMILESCC=CCC1CCC1O
InChIInChI=1S/C8H14O/c1-2-3-4-7-5-6-8(7)9/h2-3,7-9H,4-6H2,1H3
InChIKeyFTJRRQQORZDAQZ-UHFFFAOYSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.72
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

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3,7-Dimethyloct-6-en-2-ol
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Dodeca-1,6-dien-12-ol, 6,10-dimethyl-
CID 5367566
rac-(1R,2S)-2-(prop-1-en-1-yl)cyclopentan-1-ol
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1-(1'-Hydroxypropyl)-4,8-cyclododecadiene
CID 129878249
Bicyclo[3.2.0]hept-2-en-6-ol
CID 10866282
1-Cyclohex-3-en-1-ylpropan-1-ol
CID 23131558
(1R)-1-[(1R,2S)-2-[(E)-hex-1-enyl]cyclopropyl]ethanol
CID 58281620
(2S,4S)-4,8-dimethylnon-7-en-2-ol
CID 92199937
cis-(r)-3-Methyl-undec-6-en-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-but-2-enylcyclobutan-1-ol?
The IUPAC name of 2-but-2-enylcyclobutan-1-ol (CID 71372115) is 2-but-2-enylcyclobutan-1-ol.
What is the SMILES notation for 2-but-2-enylcyclobutan-1-ol?
The canonical SMILES for 2-but-2-enylcyclobutan-1-ol is CC=CCC1CCC1O.
What is the InChIKey of 2-but-2-enylcyclobutan-1-ol?
The InChIKey is FTJRRQQORZDAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-2-3-4-7-5-6-8(7)9/h2-3,7-9H,4-6H2,1H3.
What are the key properties of 2-but-2-enylcyclobutan-1-ol?
2-but-2-enylcyclobutan-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enylcyclobutan-1-ol is sourced from PubChem (CID 71372115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).