2,3-dihydroxypropanoyl undec-10-enoate

C14H24O5 — CID 22325969

IUPAC2,3-dihydroxypropanoyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OC(=O)C(O)CO
InChIInChI=1S/C14H24O5/c1-2-3-4-5-6-7-8-9-10-13(17)19-14(18)12(16)11-15/h2,12,15-16H,1,3-11H2
InChIKeyDOZYUJWXYJDSBB-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.72
Rot. Bonds11

About 2,3-dihydroxypropanoyl undec-10-enoate

2,3-dihydroxypropanoyl undec-10-enoate (PubChem CID 22325969) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2,3-dihydroxypropanoyl undec-10-enoate.

Molecular Properties

Compound Name2,3-dihydroxypropanoyl undec-10-enoate
PubChem CID22325969
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name2,3-dihydroxypropanoyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OC(=O)C(O)CO
InChIInChI=1S/C14H24O5/c1-2-3-4-5-6-7-8-9-10-13(17)19-14(18)12(16)11-15/h2,12,15-16H,1,3-11H2
InChIKeyDOZYUJWXYJDSBB-UHFFFAOYSA-N
XLogP1.72
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxypropanoyl octadecanoate;prop-1-ene
CID 155355404
2,3-dihydroxypropanoyl icosanoate
CID 89407188
2,3-dihydroxypropanoyl octanoate
CID 21150881
[(2R)-2,3-dihydroxypropyl] dec-9-enoate
CID 53301863
2-hydroxyethyl dec-9-enoate
CID 87084822
2,3-dihydroxypropanoyl dodecanoate;ethane-1,2-diol
CID 87655884
2,3-dihydroxypropanoyl dodecanoate;propane-1,2-diol
CID 87907800
2,3-dihydroxypropanoyl 6-methylheptanoate
CID 140999025
2-dec-9-enoyloxyethyl dec-9-enoate
CID 153465043
[2-hydroxy-3-(2-hydroxyacetyl)oxypropyl] undec-10-enoate
CID 58519858
2,3-dihydroxypropanoyl octadecanoate;2,3-dihydroxypropyl (Z)-octadec-9-enoate
CID 88669164
prop-2-enoyl undec-10-enoate;zinc
CID 174962739

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropanoyl undec-10-enoate?
The IUPAC name of 2,3-dihydroxypropanoyl undec-10-enoate (CID 22325969) is 2,3-dihydroxypropanoyl undec-10-enoate.
What is the SMILES notation for 2,3-dihydroxypropanoyl undec-10-enoate?
The canonical SMILES for 2,3-dihydroxypropanoyl undec-10-enoate is C=CCCCCCCCCC(=O)OC(=O)C(O)CO.
What is the InChIKey of 2,3-dihydroxypropanoyl undec-10-enoate?
The InChIKey is DOZYUJWXYJDSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-2-3-4-5-6-7-8-9-10-13(17)19-14(18)12(16)11-15/h2,12,15-16H,1,3-11H2.
What are the key properties of 2,3-dihydroxypropanoyl undec-10-enoate?
2,3-dihydroxypropanoyl undec-10-enoate has a molecular weight of 272.34 g/mol, XLogP of 1.72, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropanoyl undec-10-enoate is sourced from PubChem (CID 22325969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).