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

C13H24O4 — CID 53301863

IUPAC[(2R)-2,3-dihydroxypropyl] dec-9-enoate
SMILESC=CCCCCCCCC(=O)OC[C@H](O)CO
InChIInChI=1S/C13H24O4/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14/h2,12,14-15H,1,3-11H2/t12-/m1/s1
InChIKeyWPPWKDDHDZVRTQ-GFCCVEGCSA-N
MW244.33 g/mol
LogP1.80
Rot. Bonds11

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

[(2R)-2,3-dihydroxypropyl] dec-9-enoate (PubChem CID 53301863) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is [(2R)-2,3-dihydroxypropyl] dec-9-enoate.

Molecular Properties

Compound Name[(2R)-2,3-dihydroxypropyl] dec-9-enoate
PubChem CID53301863
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name[(2R)-2,3-dihydroxypropyl] dec-9-enoate
SMILESC=CCCCCCCCC(=O)OC[C@H](O)CO
InChIInChI=1S/C13H24O4/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14/h2,12,14-15H,1,3-11H2/t12-/m1/s1
InChIKeyWPPWKDDHDZVRTQ-GFCCVEGCSA-N
XLogP1.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.80
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-(2-hydroxyacetyl)oxypropyl] undec-10-enoate
CID 58519858
bis(2,3-dihydroxypropyl) icosanedioate
CID 14631093
(3-hydroxy-2-undec-10-enoyloxypropyl) undec-10-enoate
CID 13365715
[(2R)-2,3-dihydroxypropyl] (Z)-undec-9-enoate;ethane
CID 154585555
2,3-dihydroxypropyl decanoate;prop-1-ene
CID 155355395
[(2R)-2,3-dihydroxypropyl] 34-hydroxytetratriacontanoate
CID 162985486
2-hydroxybutyl 10-hydroxyhexadec-15-enoate
CID 157441830
[(2S)-2,3-dihydroxypropyl] (Z)-octadec-11-enoate
CID 53480977
[(2R)-2,3-dihydroxypropyl] (Z)-tetradec-9-enoate
CID 53301866
[(2R)-2,3-dihydroxypropyl] octadec-9-enoate
CID 54294271
2,3-dihydroxypropyl (Z)-pentadec-9-enoate
CID 138299634
8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid
CID 51136413

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-dihydroxypropyl] dec-9-enoate?
The IUPAC name of [(2R)-2,3-dihydroxypropyl] dec-9-enoate (CID 53301863) is [(2R)-2,3-dihydroxypropyl] dec-9-enoate.
What is the SMILES notation for [(2R)-2,3-dihydroxypropyl] dec-9-enoate?
The canonical SMILES for [(2R)-2,3-dihydroxypropyl] dec-9-enoate is C=CCCCCCCCC(=O)OC[C@H](O)CO.
What is the InChIKey of [(2R)-2,3-dihydroxypropyl] dec-9-enoate?
The InChIKey is WPPWKDDHDZVRTQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24O4/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14/h2,12,14-15H,1,3-11H2/t12-/m1/s1.
What are the key properties of [(2R)-2,3-dihydroxypropyl] dec-9-enoate?
[(2R)-2,3-dihydroxypropyl] dec-9-enoate has a molecular weight of 244.33 g/mol, XLogP of 1.80, 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] dec-9-enoate is sourced from PubChem (CID 53301863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).