1-cyclobutylhex-4-yn-2-ol

C10H16O — CID 103169912

IUPAC1-cyclobutylhex-4-yn-2-ol
SMILESCC#CCC(O)CC1CCC1
InChIInChI=1S/C10H16O/c1-2-3-7-10(11)8-9-5-4-6-9/h9-11H,4-8H2,1H3
InChIKeyIKPUUDBRGXYWNX-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.95
Rot. Bonds3

About 1-cyclobutylhex-4-yn-2-ol

1-cyclobutylhex-4-yn-2-ol (PubChem CID 103169912) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-cyclobutylhex-4-yn-2-ol.

Molecular Properties

Compound Name1-cyclobutylhex-4-yn-2-ol
PubChem CID103169912
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-cyclobutylhex-4-yn-2-ol
SMILESCC#CCC(O)CC1CCC1
InChIInChI=1S/C10H16O/c1-2-3-7-10(11)8-9-5-4-6-9/h9-11H,4-8H2,1H3
InChIKeyIKPUUDBRGXYWNX-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 115779959
N-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine
CID 115896850
1-amino-3-cyclobutylpropan-2-ol
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(2R)-1-cyclohexylbutan-2-ol
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1-cyclobutylhex-5-yn-2-ol
CID 103170011
1-cyclopentyloct-6-yn-3-ol
CID 115833783
(2S,3R)-3-amino-1-cyclobutylbutan-2-ol
CID 124673545
1-(3-ethylcyclohexyl)-N-methylpent-3-yn-1-amine
CID 65415557
1-(4,4-dimethylcyclohexyl)pent-3-yn-1-ol
CID 65391400
1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylhex-4-yn-2-ol?
The IUPAC name of 1-cyclobutylhex-4-yn-2-ol (CID 103169912) is 1-cyclobutylhex-4-yn-2-ol.
What is the SMILES notation for 1-cyclobutylhex-4-yn-2-ol?
The canonical SMILES for 1-cyclobutylhex-4-yn-2-ol is CC#CCC(O)CC1CCC1.
What is the InChIKey of 1-cyclobutylhex-4-yn-2-ol?
The InChIKey is IKPUUDBRGXYWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-3-7-10(11)8-9-5-4-6-9/h9-11H,4-8H2,1H3.
What are the key properties of 1-cyclobutylhex-4-yn-2-ol?
1-cyclobutylhex-4-yn-2-ol has a molecular weight of 152.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylhex-4-yn-2-ol is sourced from PubChem (CID 103169912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).