1-(2-chloroethynyl)cyclohexan-1-ol

C8H11ClO — CID 4050789

IUPAC1-(2-chloroethynyl)cyclohexan-1-ol
SMILESOC1(C#CCl)CCCCC1
InChIInChI=1S/C8H11ClO/c9-7-6-8(10)4-2-1-3-5-8/h10H,1-5H2
InChIKeySGDFHUSQKHXDNW-UHFFFAOYSA-N
MW158.63 g/mol
LogP1.88
Rot. Bonds

About 1-(2-chloroethynyl)cyclohexan-1-ol

1-(2-chloroethynyl)cyclohexan-1-ol (PubChem CID 4050789) has the molecular formula C8H11ClO and a molecular weight of 158.63 g/mol. Its IUPAC name is 1-(2-chloroethynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-chloroethynyl)cyclohexan-1-ol
PubChem CID4050789
Molecular FormulaC8H11ClO
Molecular Weight158.63 g/mol
Exact Mass158.05
IUPAC Name1-(2-chloroethynyl)cyclohexan-1-ol
SMILESOC1(C#CCl)CCCCC1
InChIInChI=1S/C8H11ClO/c9-7-6-8(10)4-2-1-3-5-8/h10H,1-5H2
InChIKeySGDFHUSQKHXDNW-UHFFFAOYSA-N
XLogP1.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 51.88
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 1-(2-chloroethynyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-chloroethynyl)cyclohexan-1-ol (CID 4050789) is 1-(2-chloroethynyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-chloroethynyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-chloroethynyl)cyclohexan-1-ol is OC1(C#CCl)CCCCC1.
What is the InChIKey of 1-(2-chloroethynyl)cyclohexan-1-ol?
The InChIKey is SGDFHUSQKHXDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO/c9-7-6-8(10)4-2-1-3-5-8/h10H,1-5H2.
What are the key properties of 1-(2-chloroethynyl)cyclohexan-1-ol?
1-(2-chloroethynyl)cyclohexan-1-ol has a molecular weight of 158.63 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethynyl)cyclohexan-1-ol is sourced from PubChem (CID 4050789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).