1-cyclohexyltridec-2-yne-1,4-diol

C19H34O2 — CID 15695908

IUPAC1-cyclohexyltridec-2-yne-1,4-diol
SMILESCCCCCCCCCC(O)C#CC(O)C1CCCCC1
InChIInChI=1S/C19H34O2/c1-2-3-4-5-6-7-11-14-18(20)15-16-19(21)17-12-9-8-10-13-17/h17-21H,2-14H2,1H3
InChIKeyPDWUNMXUTLVRGA-UHFFFAOYSA-N
MW294.48 g/mol
LogP4.43
Rot. Bonds9

About 1-cyclohexyltridec-2-yne-1,4-diol

1-cyclohexyltridec-2-yne-1,4-diol (PubChem CID 15695908) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-cyclohexyltridec-2-yne-1,4-diol.

Molecular Properties

Compound Name1-cyclohexyltridec-2-yne-1,4-diol
PubChem CID15695908
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name1-cyclohexyltridec-2-yne-1,4-diol
SMILESCCCCCCCCCC(O)C#CC(O)C1CCCCC1
InChIInChI=1S/C19H34O2/c1-2-3-4-5-6-7-11-14-18(20)15-16-19(21)17-12-9-8-10-13-17/h17-21H,2-14H2,1H3
InChIKeyPDWUNMXUTLVRGA-UHFFFAOYSA-N
XLogP4.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyltridec-2-yne-1,4-diol?
The IUPAC name of 1-cyclohexyltridec-2-yne-1,4-diol (CID 15695908) is 1-cyclohexyltridec-2-yne-1,4-diol.
What is the SMILES notation for 1-cyclohexyltridec-2-yne-1,4-diol?
The canonical SMILES for 1-cyclohexyltridec-2-yne-1,4-diol is CCCCCCCCCC(O)C#CC(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyltridec-2-yne-1,4-diol?
The InChIKey is PDWUNMXUTLVRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-2-3-4-5-6-7-11-14-18(20)15-16-19(21)17-12-9-8-10-13-17/h17-21H,2-14H2,1H3.
What are the key properties of 1-cyclohexyltridec-2-yne-1,4-diol?
1-cyclohexyltridec-2-yne-1,4-diol has a molecular weight of 294.48 g/mol, XLogP of 4.43, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyltridec-2-yne-1,4-diol is sourced from PubChem (CID 15695908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).