1-(3-bicyclo[3.1.0]hexanyl)but-3-en-1-ol

C10H16O — CID 115778669

IUPAC1-(3-bicyclo[3.1.0]hexanyl)but-3-en-1-ol
SMILESC=CCC(O)C1CC2CC2C1
InChIInChI=1S/C10H16O/c1-2-3-10(11)9-5-7-4-8(7)6-9/h2,7-11H,1,3-6H2
InChIKeyDFUGDVNSZDCTEH-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds3

About 1-(3-bicyclo[3.1.0]hexanyl)but-3-en-1-ol

1-(3-bicyclo[3.1.0]hexanyl)but-3-en-1-ol (PubChem CID 115778669) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)but-3-en-1-ol.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)but-3-en-1-ol
PubChem CID115778669
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)but-3-en-1-ol
SMILESC=CCC(O)C1CC2CC2C1
InChIInChI=1S/C10H16O/c1-2-3-10(11)9-5-7-4-8(7)6-9/h2,7-11H,1,3-6H2
InChIKeyDFUGDVNSZDCTEH-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.97
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-(3-ethylcyclopentyl)but-3-en-1-ol
CID 65409759
1-(oxolan-3-yl)but-3-en-1-ol
CID 65329899
1-(oxiran-2-yl)but-3-en-1-ol
CID 11126217
(3S)-3-(1-hydroxybut-3-enyl)pyrrolidine-1-carboxylic acid
CID 154064325
(1R)-1-cyclopropylpent-4-en-1-ol
CID 96581912
1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol
CID 115789478
1-pyrrolidin-2-ylbut-3-en-1-ol
CID 72814698
1-cyclohexylpent-4-en-2-ol
CID 13166988
(1S)-1-[(2R,3S,5S)-5-methyl-3-sulfanyloxyoxolan-2-yl]but-3-en-1-ol
CID 126599171
1-(oxolan-3-yl)pent-4-en-1-ol
CID 65330730
1-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-2-en-1-ol
CID 115817079
tert-butyl (3S)-3-(1-hydroxybut-3-enyl)pyrrolidine-1-carboxylate
CID 59536652

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)but-3-en-1-ol?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)but-3-en-1-ol (CID 115778669) is 1-(3-bicyclo[3.1.0]hexanyl)but-3-en-1-ol.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)but-3-en-1-ol?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)but-3-en-1-ol is C=CCC(O)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)but-3-en-1-ol?
The InChIKey is DFUGDVNSZDCTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-3-10(11)9-5-7-4-8(7)6-9/h2,7-11H,1,3-6H2.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)but-3-en-1-ol?
1-(3-bicyclo[3.1.0]hexanyl)but-3-en-1-ol has a molecular weight of 152.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)but-3-en-1-ol is sourced from PubChem (CID 115778669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).