2-dec-9-enylpropane-1,3-diol

C13H26O2 — CID 135271441

IUPAC2-dec-9-enylpropane-1,3-diol
SMILESC=CCCCCCCCCC(CO)CO
InChIInChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-13(11-14)12-15/h2,13-15H,1,3-12H2
InChIKeyNAURUOJHIHWKRE-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.89
Rot. Bonds11

About 2-dec-9-enylpropane-1,3-diol

2-dec-9-enylpropane-1,3-diol (PubChem CID 135271441) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-dec-9-enylpropane-1,3-diol.

Molecular Properties

Compound Name2-dec-9-enylpropane-1,3-diol
PubChem CID135271441
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2-dec-9-enylpropane-1,3-diol
SMILESC=CCCCCCCCCC(CO)CO
InChIInChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-13(11-14)12-15/h2,13-15H,1,3-12H2
InChIKeyNAURUOJHIHWKRE-UHFFFAOYSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.89
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'}

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Related Compounds

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13-pent-4-enylheptacosa-1,26-diene
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7-pentyltridec-1-ene
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12-pentyltricosa-1,22-diene
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9-propyldodec-1-ene
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26-heptadecylnonapentacont-1-ene
CID 123445046
(2R,4R)-nonadec-18-ene-1,2,4-triol
CID 171749801
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CID 159857155
(4R,5R)-pentadec-14-ene-1,4,5-triol
CID 11747294
5-non-8-enyltetradec-13-enal
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heptadeca-1,16-diene
CID 6429392

Frequently Asked Questions

What is the IUPAC name of 2-dec-9-enylpropane-1,3-diol?
The IUPAC name of 2-dec-9-enylpropane-1,3-diol (CID 135271441) is 2-dec-9-enylpropane-1,3-diol.
What is the SMILES notation for 2-dec-9-enylpropane-1,3-diol?
The canonical SMILES for 2-dec-9-enylpropane-1,3-diol is C=CCCCCCCCCC(CO)CO.
What is the InChIKey of 2-dec-9-enylpropane-1,3-diol?
The InChIKey is NAURUOJHIHWKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-13(11-14)12-15/h2,13-15H,1,3-12H2.
What are the key properties of 2-dec-9-enylpropane-1,3-diol?
2-dec-9-enylpropane-1,3-diol has a molecular weight of 214.35 g/mol, XLogP of 2.89, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-9-enylpropane-1,3-diol is sourced from PubChem (CID 135271441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).