[(2R)-2,3-dihydroxypropyl] (Z)-tetradec-9-enoate

C17H32O4 — CID 53301866

IUPAC[(2R)-2,3-dihydroxypropyl] (Z)-tetradec-9-enoate
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)CO
InChIInChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h5-6,16,18-19H,2-4,7-15H2,1H3/b6-5-/t16-/m1/s1
InChIKeyARCRKLOZHGPFFJ-OGZRUICASA-N
MW300.44 g/mol
LogP3.36
Rot. Bonds14

About [(2R)-2,3-dihydroxypropyl] (Z)-tetradec-9-enoate

[(2R)-2,3-dihydroxypropyl] (Z)-tetradec-9-enoate (PubChem CID 53301866) has the molecular formula C17H32O4 and a molecular weight of 300.44 g/mol. Its IUPAC name is [(2R)-2,3-dihydroxypropyl] (Z)-tetradec-9-enoate.

Molecular Properties

Compound Name[(2R)-2,3-dihydroxypropyl] (Z)-tetradec-9-enoate
PubChem CID53301866
Molecular FormulaC17H32O4
Molecular Weight300.44 g/mol
Exact Mass300.23
IUPAC Name[(2R)-2,3-dihydroxypropyl] (Z)-tetradec-9-enoate
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)CO
InChIInChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h5-6,16,18-19H,2-4,7-15H2,1H3/b6-5-/t16-/m1/s1
InChIKeyARCRKLOZHGPFFJ-OGZRUICASA-N
XLogP3.36
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(2S)-2,3-dihydroxypropyl] (Z)-octadec-11-enoate
CID 53480977
[(2R)-2,3-dihydroxypropyl] octadec-9-enoate
CID 54294271
2,3-dihydroxypropyl (Z)-pentadec-9-enoate
CID 138299634
2,3-dihydroxypropyl (9Z,12Z)-heptadeca-9,12-dienoate
CID 138225175
2,3-dihydroxypropyl (Z)-octadec-9-enoate;phosphane
CID 174809478
[(2R)-2,3-dihydroxypropyl] octadeca-9,12-dienoate
CID 162909302
[(2S)-2,3-dihydroxypropyl] (5E,9E)-hexacosa-5,9-dienoate
CID 134733630
2,3-dihydroxypropyl (Z)-octadec-9-enoate;octanoic acid
CID 174110095
2,3-dihydroxypropyl (Z)-octadec-9-enoate;hexadecane-1,2-diol
CID 131713685
[(2R)-3-[(2S)-3-[(2S)-2,3-dihydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] (Z)-octadec-9-enoate
CID 99937659
2,3-dihydroxypropyl (Z)-octadec-9-enoate;propanoic acid
CID 175263022
2,3-dihydroxypropyl (9Z,11E)-octadeca-9,11-dienoate
CID 23654475

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-dihydroxypropyl] (Z)-tetradec-9-enoate?
The IUPAC name of [(2R)-2,3-dihydroxypropyl] (Z)-tetradec-9-enoate (CID 53301866) is [(2R)-2,3-dihydroxypropyl] (Z)-tetradec-9-enoate.
What is the SMILES notation for [(2R)-2,3-dihydroxypropyl] (Z)-tetradec-9-enoate?
The canonical SMILES for [(2R)-2,3-dihydroxypropyl] (Z)-tetradec-9-enoate is CCCC/C=C\CCCCCCCC(=O)OC[C@H](O)CO.
What is the InChIKey of [(2R)-2,3-dihydroxypropyl] (Z)-tetradec-9-enoate?
The InChIKey is ARCRKLOZHGPFFJ-OGZRUICASA-N. The full InChI is InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h5-6,16,18-19H,2-4,7-15H2,1H3/b6-5-/t16-/m1/s1.
What are the key properties of [(2R)-2,3-dihydroxypropyl] (Z)-tetradec-9-enoate?
[(2R)-2,3-dihydroxypropyl] (Z)-tetradec-9-enoate has a molecular weight of 300.44 g/mol, XLogP of 3.36, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-dihydroxypropyl] (Z)-tetradec-9-enoate is sourced from PubChem (CID 53301866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).