6-ethenyltetradec-7-yne-1,5-diol

C16H28O2 — CID 71379608

IUPAC6-ethenyltetradec-7-yne-1,5-diol
SMILESC=CC(C#CCCCCCC)C(O)CCCCO
InChIInChI=1S/C16H28O2/c1-3-5-6-7-8-9-12-15(4-2)16(18)13-10-11-14-17/h4,15-18H,2-3,5-8,10-11,13-14H2,1H3
InChIKeyADNSSSPEDMBQMU-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.29
Rot. Bonds10

About 6-ethenyltetradec-7-yne-1,5-diol

6-ethenyltetradec-7-yne-1,5-diol (PubChem CID 71379608) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 6-ethenyltetradec-7-yne-1,5-diol.

Molecular Properties

Compound Name6-ethenyltetradec-7-yne-1,5-diol
PubChem CID71379608
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name6-ethenyltetradec-7-yne-1,5-diol
SMILESC=CC(C#CCCCCCC)C(O)CCCCO
InChIInChI=1S/C16H28O2/c1-3-5-6-7-8-9-12-15(4-2)16(18)13-10-11-14-17/h4,15-18H,2-3,5-8,10-11,13-14H2,1H3
InChIKeyADNSSSPEDMBQMU-UHFFFAOYSA-N
XLogP3.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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11-methyltridec-12-en-9-yn-1-ol
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7-ethylnon-8-en-5-yn-1-ol
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undec-5-yn-1-ol
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11-octadecylicosane-1,10,20-triol
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Frequently Asked Questions

What is the IUPAC name of 6-ethenyltetradec-7-yne-1,5-diol?
The IUPAC name of 6-ethenyltetradec-7-yne-1,5-diol (CID 71379608) is 6-ethenyltetradec-7-yne-1,5-diol.
What is the SMILES notation for 6-ethenyltetradec-7-yne-1,5-diol?
The canonical SMILES for 6-ethenyltetradec-7-yne-1,5-diol is C=CC(C#CCCCCCC)C(O)CCCCO.
What is the InChIKey of 6-ethenyltetradec-7-yne-1,5-diol?
The InChIKey is ADNSSSPEDMBQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-3-5-6-7-8-9-12-15(4-2)16(18)13-10-11-14-17/h4,15-18H,2-3,5-8,10-11,13-14H2,1H3.
What are the key properties of 6-ethenyltetradec-7-yne-1,5-diol?
6-ethenyltetradec-7-yne-1,5-diol has a molecular weight of 252.40 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyltetradec-7-yne-1,5-diol is sourced from PubChem (CID 71379608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).