(2R)-3-[(Z)-1-hydroxytridec-9-enoxy]propane-1,2-diol

C16H32O4 — CID 129012081

IUPAC(2R)-3-[(Z)-1-hydroxytridec-9-enoxy]propane-1,2-diol
SMILESCCC/C=C\CCCCCCCC(O)OC[C@H](O)CO
InChIInChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)20-14-15(18)13-17/h4-5,15-19H,2-3,6-14H2,1H3/b5-4-/t15-,16?/m1/s1
InChIKeyUMTLMHUVQWJHKK-BRJBXLKLSA-N
MW288.43 g/mol
LogP2.76
Rot. Bonds14

About (2R)-3-[(Z)-1-hydroxytridec-9-enoxy]propane-1,2-diol

(2R)-3-[(Z)-1-hydroxytridec-9-enoxy]propane-1,2-diol (PubChem CID 129012081) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is (2R)-3-[(Z)-1-hydroxytridec-9-enoxy]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(Z)-1-hydroxytridec-9-enoxy]propane-1,2-diol
PubChem CID129012081
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name(2R)-3-[(Z)-1-hydroxytridec-9-enoxy]propane-1,2-diol
SMILESCCC/C=C\CCCCCCCC(O)OC[C@H](O)CO
InChIInChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)20-14-15(18)13-17/h4-5,15-19H,2-3,6-14H2,1H3/b5-4-/t15-,16?/m1/s1
InChIKeyUMTLMHUVQWJHKK-BRJBXLKLSA-N
XLogP2.76
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-3-[(Z)-1-hydroxytridec-9-enoxy]propane-1,2-diol with MolForge

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Related Compounds

Selachyl alcohol
CID 5282282
Diglycerol, monoether with 9-octadecen-1-ol
CID 6437995
2-O-(9-Octadecenyl)glycerol
CID 10783536
1-O-(9Z-octadecenyl)-sn-glycerol
CID 53242580
(3R,4S,5R,6R)-6-(hydroxymethyl)-4-(undec-10-enyloxy)-tetrahydro-2H-pyran-2,3,5-triol
CID 9996876
2-[((Z)-Docos-13-enyl)oxy]-propane-1,3-diol
CID 44360582
2-[((Z)-Octadeca-9,12-dienyl)oxy]-propane-1,3-diol
CID 44360595
2-[1,3-bis[2-[(Z)-11-hydroxyheptadec-8-enoxy]carbonyloxyethoxy]propan-2-yloxy]ethyl [(Z)-11-hydroxyheptadec-8-enyl] carbonate
CID 154733643
3-[(E)-octadec-9-enoxy]propane-1,2-diol
CID 5351510
1,2-Propanediol, 3-(3-hydroxy-2-(9-octadecen-1-yloxy)propoxy)-
CID 116980
(Z)-3-(2-Hydroxy-3-(9-octadecenyloxy)propoxy)propane-1,2-diol
CID 6437773
(2R)-3-[(Z)-octadec-9-enoxy]propane-1,2-diol
CID 445189

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(Z)-1-hydroxytridec-9-enoxy]propane-1,2-diol?
The IUPAC name of (2R)-3-[(Z)-1-hydroxytridec-9-enoxy]propane-1,2-diol (CID 129012081) is (2R)-3-[(Z)-1-hydroxytridec-9-enoxy]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(Z)-1-hydroxytridec-9-enoxy]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(Z)-1-hydroxytridec-9-enoxy]propane-1,2-diol is CCC/C=C\CCCCCCCC(O)OC[C@H](O)CO.
What is the InChIKey of (2R)-3-[(Z)-1-hydroxytridec-9-enoxy]propane-1,2-diol?
The InChIKey is UMTLMHUVQWJHKK-BRJBXLKLSA-N. The full InChI is InChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)20-14-15(18)13-17/h4-5,15-19H,2-3,6-14H2,1H3/b5-4-/t15-,16?/m1/s1.
What are the key properties of (2R)-3-[(Z)-1-hydroxytridec-9-enoxy]propane-1,2-diol?
(2R)-3-[(Z)-1-hydroxytridec-9-enoxy]propane-1,2-diol has a molecular weight of 288.43 g/mol, XLogP of 2.76, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(Z)-1-hydroxytridec-9-enoxy]propane-1,2-diol is sourced from PubChem (CID 129012081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).