1-cyclohexylundeca-2,4-diyne-1,6-diol

C17H26O2 — CID 122187220

IUPAC1-cyclohexylundeca-2,4-diyne-1,6-diol
SMILESCCCCCC(O)C#CC#CC(O)C1CCCCC1
InChIInChI=1S/C17H26O2/c1-2-3-5-12-16(18)13-8-9-14-17(19)15-10-6-4-7-11-15/h15-19H,2-7,10-12H2,1H3
InChIKeyMWIFNPXVORULIG-UHFFFAOYSA-N
MW262.39 g/mol
LogP2.88
Rot. Bonds5

About 1-cyclohexylundeca-2,4-diyne-1,6-diol

1-cyclohexylundeca-2,4-diyne-1,6-diol (PubChem CID 122187220) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-cyclohexylundeca-2,4-diyne-1,6-diol.

Molecular Properties

Compound Name1-cyclohexylundeca-2,4-diyne-1,6-diol
PubChem CID122187220
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-cyclohexylundeca-2,4-diyne-1,6-diol
SMILESCCCCCC(O)C#CC#CC(O)C1CCCCC1
InChIInChI=1S/C17H26O2/c1-2-3-5-12-16(18)13-8-9-14-17(19)15-10-6-4-7-11-15/h15-19H,2-7,10-12H2,1H3
InChIKeyMWIFNPXVORULIG-UHFFFAOYSA-N
XLogP2.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 52.88
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylundeca-2,4-diyne-1,6-diol?
The IUPAC name of 1-cyclohexylundeca-2,4-diyne-1,6-diol (CID 122187220) is 1-cyclohexylundeca-2,4-diyne-1,6-diol.
What is the SMILES notation for 1-cyclohexylundeca-2,4-diyne-1,6-diol?
The canonical SMILES for 1-cyclohexylundeca-2,4-diyne-1,6-diol is CCCCCC(O)C#CC#CC(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexylundeca-2,4-diyne-1,6-diol?
The InChIKey is MWIFNPXVORULIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-2-3-5-12-16(18)13-8-9-14-17(19)15-10-6-4-7-11-15/h15-19H,2-7,10-12H2,1H3.
What are the key properties of 1-cyclohexylundeca-2,4-diyne-1,6-diol?
1-cyclohexylundeca-2,4-diyne-1,6-diol has a molecular weight of 262.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylundeca-2,4-diyne-1,6-diol is sourced from PubChem (CID 122187220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).