1-ethynyl-2-(2-methylprop-1-enyl)cyclobutan-1-ol

C10H14O — CID 13265311

IUPAC1-ethynyl-2-(2-methylprop-1-enyl)cyclobutan-1-ol
SMILESC#CC1(O)CCC1C=C(C)C
InChIInChI=1S/C10H14O/c1-4-10(11)6-5-9(10)7-8(2)3/h1,7,9,11H,5-6H2,2-3H3
InChIKeyXAALLZUKKAOHGA-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.73
Rot. Bonds1

About 1-ethynyl-2-(2-methylprop-1-enyl)cyclobutan-1-ol

1-ethynyl-2-(2-methylprop-1-enyl)cyclobutan-1-ol (PubChem CID 13265311) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-ethynyl-2-(2-methylprop-1-enyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-ethynyl-2-(2-methylprop-1-enyl)cyclobutan-1-ol
PubChem CID13265311
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-ethynyl-2-(2-methylprop-1-enyl)cyclobutan-1-ol
SMILESC#CC1(O)CCC1C=C(C)C
InChIInChI=1S/C10H14O/c1-4-10(11)6-5-9(10)7-8(2)3/h1,7,9,11H,5-6H2,2-3H3
InChIKeyXAALLZUKKAOHGA-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane
CID 520632
2-ethynyl-7-methylbicyclo[3.3.1]nonan-2-ol
CID 123784638
cis-(1S,2S)-2-chloro-1-ethynylcyclopentan-1-ol
CID 131165760
1-ethynylcyclohexane-1,4-diol
CID 45079337
trans-(1R,2R)-1-ethynyl-2-phenylcyclobutan-1-ol
CID 11958011
(1S,3aS,4S,5S,7aS)-1-ethynyl-5-[(1R,2S,4S)-4-hydroxy-2-(hydroxymethyl)-1-methylcyclohexyl]-4-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol
CID 86274433
4-ethynyl-3-methylpiperidin-4-ol
CID 114501937
2-butyl-1-ethynylcyclopentan-1-ol
CID 23346684
1-ethynyl-4,4-dimethylcyclohexan-1-ol
CID 20569400
2-(2-methylprop-1-enyl)cyclopropane-1,1-dicarboxylic acid
CID 20558390
1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride
CID 159817831
(1S,2S,12S)-2-ethynylbicyclo[10.1.0]tridecan-2-ol
CID 10727667

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-2-(2-methylprop-1-enyl)cyclobutan-1-ol?
The IUPAC name of 1-ethynyl-2-(2-methylprop-1-enyl)cyclobutan-1-ol (CID 13265311) is 1-ethynyl-2-(2-methylprop-1-enyl)cyclobutan-1-ol.
What is the SMILES notation for 1-ethynyl-2-(2-methylprop-1-enyl)cyclobutan-1-ol?
The canonical SMILES for 1-ethynyl-2-(2-methylprop-1-enyl)cyclobutan-1-ol is C#CC1(O)CCC1C=C(C)C.
What is the InChIKey of 1-ethynyl-2-(2-methylprop-1-enyl)cyclobutan-1-ol?
The InChIKey is XAALLZUKKAOHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-4-10(11)6-5-9(10)7-8(2)3/h1,7,9,11H,5-6H2,2-3H3.
What are the key properties of 1-ethynyl-2-(2-methylprop-1-enyl)cyclobutan-1-ol?
1-ethynyl-2-(2-methylprop-1-enyl)cyclobutan-1-ol has a molecular weight of 150.22 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-2-(2-methylprop-1-enyl)cyclobutan-1-ol is sourced from PubChem (CID 13265311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).