2-(2-undec-10-enoyloxypropanoyloxy)propanoic acid

C17H28O6 — CID 15136969

IUPAC2-(2-undec-10-enoyloxypropanoyloxy)propanoic acid
SMILESC=CCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O
InChIInChI=1S/C17H28O6/c1-4-5-6-7-8-9-10-11-12-15(18)22-14(3)17(21)23-13(2)16(19)20/h4,13-14H,1,5-12H2,2-3H3,(H,19,20)
InChIKeyGXCJZVPFMICXTH-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.24
Rot. Bonds13

About 2-(2-undec-10-enoyloxypropanoyloxy)propanoic acid

2-(2-undec-10-enoyloxypropanoyloxy)propanoic acid (PubChem CID 15136969) has the molecular formula C17H28O6 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(2-undec-10-enoyloxypropanoyloxy)propanoic acid.

Molecular Properties

Compound Name2-(2-undec-10-enoyloxypropanoyloxy)propanoic acid
PubChem CID15136969
Molecular FormulaC17H28O6
Molecular Weight328.41 g/mol
Exact Mass328.19
IUPAC Name2-(2-undec-10-enoyloxypropanoyloxy)propanoic acid
SMILESC=CCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O
InChIInChI=1S/C17H28O6/c1-4-5-6-7-8-9-10-11-12-15(18)22-14(3)17(21)23-13(2)16(19)20/h4,13-14H,1,5-12H2,2-3H3,(H,19,20)
InChIKeyGXCJZVPFMICXTH-UHFFFAOYSA-N
XLogP3.24
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Monolinolein
CID 6436630
Glyceryl Monooleate
CID 5283468
2-Oleoylglycerol
CID 5319879
2-Linoleoylglycerol
CID 5365676
1-Linolenoylglycerol
CID 5367328
(Z)-docos-13-enoic acid, monoester with glycerol
CID 6438186
2-Monolinolenin
CID 11674746
(2s)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate
CID 12178130
2-Hydroxyethyl ricinoleate
CID 5354357
1-Monopalmitolein
CID 9883914
1-Monolinolein
CID 5283469
1-Vaccenoyl-glycerol
CID 53480977

Frequently Asked Questions

What is the IUPAC name of 2-(2-undec-10-enoyloxypropanoyloxy)propanoic acid?
The IUPAC name of 2-(2-undec-10-enoyloxypropanoyloxy)propanoic acid (CID 15136969) is 2-(2-undec-10-enoyloxypropanoyloxy)propanoic acid.
What is the SMILES notation for 2-(2-undec-10-enoyloxypropanoyloxy)propanoic acid?
The canonical SMILES for 2-(2-undec-10-enoyloxypropanoyloxy)propanoic acid is C=CCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O.
What is the InChIKey of 2-(2-undec-10-enoyloxypropanoyloxy)propanoic acid?
The InChIKey is GXCJZVPFMICXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O6/c1-4-5-6-7-8-9-10-11-12-15(18)22-14(3)17(21)23-13(2)16(19)20/h4,13-14H,1,5-12H2,2-3H3,(H,19,20).
What are the key properties of 2-(2-undec-10-enoyloxypropanoyloxy)propanoic acid?
2-(2-undec-10-enoyloxypropanoyloxy)propanoic acid has a molecular weight of 328.41 g/mol, XLogP of 3.24, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-undec-10-enoyloxypropanoyloxy)propanoic acid is sourced from PubChem (CID 15136969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).