2-methyltetradeca-5,7-diyne-4,9-diol

C15H24O2 — CID 122187221

IUPAC2-methyltetradeca-5,7-diyne-4,9-diol
SMILESCCCCCC(O)C#CC#CC(O)CC(C)C
InChIInChI=1S/C15H24O2/c1-4-5-6-9-14(16)10-7-8-11-15(17)12-13(2)3/h13-17H,4-6,9,12H2,1-3H3
InChIKeyDRSKNUKUKIBZIL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.34
Rot. Bonds6

About 2-methyltetradeca-5,7-diyne-4,9-diol

2-methyltetradeca-5,7-diyne-4,9-diol (PubChem CID 122187221) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-methyltetradeca-5,7-diyne-4,9-diol.

Molecular Properties

Compound Name2-methyltetradeca-5,7-diyne-4,9-diol
PubChem CID122187221
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name2-methyltetradeca-5,7-diyne-4,9-diol
SMILESCCCCCC(O)C#CC#CC(O)CC(C)C
InChIInChI=1S/C15H24O2/c1-4-5-6-9-14(16)10-7-8-11-15(17)12-13(2)3/h13-17H,4-6,9,12H2,1-3H3
InChIKeyDRSKNUKUKIBZIL-UHFFFAOYSA-N
XLogP2.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.34
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 2-methyltetradeca-5,7-diyne-4,9-diol?
The IUPAC name of 2-methyltetradeca-5,7-diyne-4,9-diol (CID 122187221) is 2-methyltetradeca-5,7-diyne-4,9-diol.
What is the SMILES notation for 2-methyltetradeca-5,7-diyne-4,9-diol?
The canonical SMILES for 2-methyltetradeca-5,7-diyne-4,9-diol is CCCCCC(O)C#CC#CC(O)CC(C)C.
What is the InChIKey of 2-methyltetradeca-5,7-diyne-4,9-diol?
The InChIKey is DRSKNUKUKIBZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-5-6-9-14(16)10-7-8-11-15(17)12-13(2)3/h13-17H,4-6,9,12H2,1-3H3.
What are the key properties of 2-methyltetradeca-5,7-diyne-4,9-diol?
2-methyltetradeca-5,7-diyne-4,9-diol has a molecular weight of 236.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltetradeca-5,7-diyne-4,9-diol is sourced from PubChem (CID 122187221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).