15-hydroxy-16-methoxy-16-oxohexadecanoic acid

C17H32O5 — CID 71336808

IUPAC15-hydroxy-16-methoxy-16-oxohexadecanoic acid
SMILESCOC(=O)C(O)CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C17H32O5/c1-22-17(21)15(18)13-11-9-7-5-3-2-4-6-8-10-12-14-16(19)20/h15,18H,2-14H2,1H3,(H,19,20)
InChIKeyBYWFYPRJIAABKO-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.68
Rot. Bonds15

About 15-hydroxy-16-methoxy-16-oxohexadecanoic acid

15-hydroxy-16-methoxy-16-oxohexadecanoic acid (PubChem CID 71336808) has the molecular formula C17H32O5 and a molecular weight of 316.44 g/mol. Its IUPAC name is 15-hydroxy-16-methoxy-16-oxohexadecanoic acid.

Molecular Properties

Compound Name15-hydroxy-16-methoxy-16-oxohexadecanoic acid
PubChem CID71336808
Molecular FormulaC17H32O5
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name15-hydroxy-16-methoxy-16-oxohexadecanoic acid
SMILESCOC(=O)C(O)CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C17H32O5/c1-22-17(21)15(18)13-11-9-7-5-3-2-4-6-8-10-12-14-16(19)20/h15,18H,2-14H2,1H3,(H,19,20)
InChIKeyBYWFYPRJIAABKO-UHFFFAOYSA-N
XLogP3.68
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid
CID 92975324
8,9-bis(methoxycarbonyl)hexadecanedioic acid
CID 88773902
19-methoxy-18-methyl-19-oxononadecanoic acid
CID 89462442
methyl (2S)-2-hydroxyheptanoate
CID 71444954
2-hydroxynonanedioic acid
CID 12760708
6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid
CID 107214923
dimethyl 2-hydroxyhexanedioate
CID 13448463
2-hydroxyheptanedioic acid
CID 160889869
14-hydroxy-15-methylhexadec-15-enoic acid
CID 551190
methyl 2-hydroxynon-7-enoate
CID 174951133
methyl (2R)-2-hydroxy-9-methylidene-10-oxooctadecanoate
CID 15098257
methyl 5-chloro-2-hydroxypentanoate
CID 55302399

Frequently Asked Questions

What is the IUPAC name of 15-hydroxy-16-methoxy-16-oxohexadecanoic acid?
The IUPAC name of 15-hydroxy-16-methoxy-16-oxohexadecanoic acid (CID 71336808) is 15-hydroxy-16-methoxy-16-oxohexadecanoic acid.
What is the SMILES notation for 15-hydroxy-16-methoxy-16-oxohexadecanoic acid?
The canonical SMILES for 15-hydroxy-16-methoxy-16-oxohexadecanoic acid is COC(=O)C(O)CCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 15-hydroxy-16-methoxy-16-oxohexadecanoic acid?
The InChIKey is BYWFYPRJIAABKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O5/c1-22-17(21)15(18)13-11-9-7-5-3-2-4-6-8-10-12-14-16(19)20/h15,18H,2-14H2,1H3,(H,19,20).
What are the key properties of 15-hydroxy-16-methoxy-16-oxohexadecanoic acid?
15-hydroxy-16-methoxy-16-oxohexadecanoic acid has a molecular weight of 316.44 g/mol, XLogP of 3.68, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-hydroxy-16-methoxy-16-oxohexadecanoic acid is sourced from PubChem (CID 71336808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).