10-(3-hydroxy-2-prop-2-enoyloxypropoxy)-10-oxodecanoic acid

C16H26O7 — CID 87074642

IUPAC10-(3-hydroxy-2-prop-2-enoyloxypropoxy)-10-oxodecanoic acid
SMILESC=CC(=O)OC(CO)COC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C16H26O7/c1-2-15(20)23-13(11-17)12-22-16(21)10-8-6-4-3-5-7-9-14(18)19/h2,13,17H,1,3-12H2,(H,18,19)
InChIKeyUJLHSBFGMGIPCL-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.83
Rot. Bonds14

About 10-(3-hydroxy-2-prop-2-enoyloxypropoxy)-10-oxodecanoic acid

10-(3-hydroxy-2-prop-2-enoyloxypropoxy)-10-oxodecanoic acid (PubChem CID 87074642) has the molecular formula C16H26O7 and a molecular weight of 330.38 g/mol. Its IUPAC name is 10-(3-hydroxy-2-prop-2-enoyloxypropoxy)-10-oxodecanoic acid.

Molecular Properties

Compound Name10-(3-hydroxy-2-prop-2-enoyloxypropoxy)-10-oxodecanoic acid
PubChem CID87074642
Molecular FormulaC16H26O7
Molecular Weight330.38 g/mol
Exact Mass330.17
IUPAC Name10-(3-hydroxy-2-prop-2-enoyloxypropoxy)-10-oxodecanoic acid
SMILESC=CC(=O)OC(CO)COC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C16H26O7/c1-2-15(20)23-13(11-17)12-22-16(21)10-8-6-4-3-5-7-9-14(18)19/h2,13,17H,1,3-12H2,(H,18,19)
InChIKeyUJLHSBFGMGIPCL-UHFFFAOYSA-N
XLogP1.83
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-[2-(5-carboxypentanoyloxy)-3-hydroxypropoxy]-6-oxohexanoic acid
CID 91057967
3-(3-hydroxy-2-prop-2-enoyloxypropoxy)-3-oxopropanoic acid
CID 176832226
14-(3-hydroxy-2-tetradecanoyloxypropoxy)-14-oxotetradecanoic acid
CID 91345514
(3-hydroxy-2-undec-10-enoyloxypropyl) undec-10-enoate
CID 13365715
18-amino-18-oxo-12-prop-2-enoyloxyoctadecanoic acid
CID 87246163
12-oxo-12-(4-prop-2-enoyloxypentoxy)dodecanoic acid
CID 141499372
8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid
CID 51136413
[(2S)-3-hydroxy-2-nonadecanoyloxypropyl] henicosanoate
CID 131802752
[(2S)-3-hydroxy-2-undecanoyloxypropyl] tetradecanoate
CID 134768915
[(2S)-2-henicosanoyloxy-3-hydroxypropyl] pentacosanoate
CID 134719805
(1-dodecanoyloxy-3-hydroxypropan-2-yl) pentacosanoate
CID 132995026
(1-decanoyloxy-3-hydroxypropan-2-yl) tetracosanoate
CID 132994971

Frequently Asked Questions

What is the IUPAC name of 10-(3-hydroxy-2-prop-2-enoyloxypropoxy)-10-oxodecanoic acid?
The IUPAC name of 10-(3-hydroxy-2-prop-2-enoyloxypropoxy)-10-oxodecanoic acid (CID 87074642) is 10-(3-hydroxy-2-prop-2-enoyloxypropoxy)-10-oxodecanoic acid.
What is the SMILES notation for 10-(3-hydroxy-2-prop-2-enoyloxypropoxy)-10-oxodecanoic acid?
The canonical SMILES for 10-(3-hydroxy-2-prop-2-enoyloxypropoxy)-10-oxodecanoic acid is C=CC(=O)OC(CO)COC(=O)CCCCCCCCC(=O)O.
What is the InChIKey of 10-(3-hydroxy-2-prop-2-enoyloxypropoxy)-10-oxodecanoic acid?
The InChIKey is UJLHSBFGMGIPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O7/c1-2-15(20)23-13(11-17)12-22-16(21)10-8-6-4-3-5-7-9-14(18)19/h2,13,17H,1,3-12H2,(H,18,19).
What are the key properties of 10-(3-hydroxy-2-prop-2-enoyloxypropoxy)-10-oxodecanoic acid?
10-(3-hydroxy-2-prop-2-enoyloxypropoxy)-10-oxodecanoic acid has a molecular weight of 330.38 g/mol, XLogP of 1.83, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-hydroxy-2-prop-2-enoyloxypropoxy)-10-oxodecanoic acid is sourced from PubChem (CID 87074642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).