[(2R)-2,3-dihydroxypropyl] (Z)-undec-9-enoate;ethane

C16H32O4 — CID 154585555

IUPAC[(2R)-2,3-dihydroxypropyl] (Z)-undec-9-enoate;ethane
SMILESC/C=C\CCCCCCCC(=O)OC[C@H](O)CO.CC
InChIInChI=1S/C14H26O4.C2H6/c1-2-3-4-5-6-7-8-9-10-14(17)18-12-13(16)11-15;1-2/h2-3,13,15-16H,4-12H2,1H3;1-2H3/b3-2-;/t13-;/m1./s1
InChIKeyRNFKVCQYBFLUAR-AEKXQGFTSA-N
MW288.43 g/mol
LogP3.22
Rot. Bonds11

About [(2R)-2,3-dihydroxypropyl] (Z)-undec-9-enoate;ethane

[(2R)-2,3-dihydroxypropyl] (Z)-undec-9-enoate;ethane (PubChem CID 154585555) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is [(2R)-2,3-dihydroxypropyl] (Z)-undec-9-enoate;ethane.

Molecular Properties

Compound Name[(2R)-2,3-dihydroxypropyl] (Z)-undec-9-enoate;ethane
PubChem CID154585555
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name[(2R)-2,3-dihydroxypropyl] (Z)-undec-9-enoate;ethane
SMILESC/C=C\CCCCCCCC(=O)OC[C@H](O)CO.CC
InChIInChI=1S/C14H26O4.C2H6/c1-2-3-4-5-6-7-8-9-10-14(17)18-12-13(16)11-15;1-2/h2-3,13,15-16H,4-12H2,1H3;1-2H3/b3-2-;/t13-;/m1./s1
InChIKeyRNFKVCQYBFLUAR-AEKXQGFTSA-N
XLogP3.22
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.22
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

(2-hydroxy-3-undec-9-enoyloxypropyl) undec-9-enoate
CID 146171532
[(2R)-2,3-dihydroxypropyl] octadec-9-enoate
CID 54294271
[(2S)-2,3-dihydroxypropyl] (Z)-octadec-11-enoate
CID 53480977
[(2R)-2,3-dihydroxypropyl] (Z)-tetradec-9-enoate
CID 53301866
2,3-dihydroxypropyl (Z)-pentadec-9-enoate
CID 138299634
2,3-dihydroxypropyl (Z)-octadec-9-enoate;phosphane
CID 174809478
2,3-dihydroxypropyl (9Z,11E)-octadeca-9,11-dienoate
CID 23654475
bis(2,3-dihydroxypropyl) icosanedioate
CID 14631093
[(2R)-2,3-dihydroxypropyl] octadeca-9,12-dienoate
CID 162909302
2,3-dihydroxypropyl (9Z,12Z)-heptadeca-9,12-dienoate
CID 138225175
2,3-dihydroxypropyl (9Z,12Z)-hexadeca-9,12-dienoate
CID 138276528
[(2S)-2,3-dihydroxypropyl] (5E,9E)-hexacosa-5,9-dienoate
CID 134733630

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-dihydroxypropyl] (Z)-undec-9-enoate;ethane?
The IUPAC name of [(2R)-2,3-dihydroxypropyl] (Z)-undec-9-enoate;ethane (CID 154585555) is [(2R)-2,3-dihydroxypropyl] (Z)-undec-9-enoate;ethane.
What is the SMILES notation for [(2R)-2,3-dihydroxypropyl] (Z)-undec-9-enoate;ethane?
The canonical SMILES for [(2R)-2,3-dihydroxypropyl] (Z)-undec-9-enoate;ethane is C/C=C\CCCCCCCC(=O)OC[C@H](O)CO.CC.
What is the InChIKey of [(2R)-2,3-dihydroxypropyl] (Z)-undec-9-enoate;ethane?
The InChIKey is RNFKVCQYBFLUAR-AEKXQGFTSA-N. The full InChI is InChI=1S/C14H26O4.C2H6/c1-2-3-4-5-6-7-8-9-10-14(17)18-12-13(16)11-15;1-2/h2-3,13,15-16H,4-12H2,1H3;1-2H3/b3-2-;/t13-;/m1./s1.
What are the key properties of [(2R)-2,3-dihydroxypropyl] (Z)-undec-9-enoate;ethane?
[(2R)-2,3-dihydroxypropyl] (Z)-undec-9-enoate;ethane has a molecular weight of 288.43 g/mol, XLogP of 3.22, 11 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)-undec-9-enoate;ethane is sourced from PubChem (CID 154585555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).