2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol

C10H14O — CID 18414980

IUPAC2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol
SMILESC#C/C=C/C1CCCCC1O
InChIInChI=1S/C10H14O/c1-2-3-6-9-7-4-5-8-10(9)11/h1,3,6,9-11H,4-5,7-8H2/b6-3+
InChIKeyIAMDICYDQISQRI-ZZXKWVIFSA-N
MW150.22 g/mol
LogP1.73
Rot. Bonds1

About 2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol

2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol (PubChem CID 18414980) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol
PubChem CID18414980
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol
SMILESC#C/C=C/C1CCCCC1O
InChIInChI=1S/C10H14O/c1-2-3-6-9-7-4-5-8-10(9)11/h1,3,6,9-11H,4-5,7-8H2/b6-3+
InChIKeyIAMDICYDQISQRI-ZZXKWVIFSA-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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol?
The IUPAC name of 2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol (CID 18414980) is 2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol is C#C/C=C/C1CCCCC1O.
What is the InChIKey of 2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol?
The InChIKey is IAMDICYDQISQRI-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H14O/c1-2-3-6-9-7-4-5-8-10(9)11/h1,3,6,9-11H,4-5,7-8H2/b6-3+.
What are the key properties of 2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol?
2-[(E)-but-1-en-3-ynyl]cyclohexan-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 2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol is sourced from PubChem (CID 18414980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).