(Z)-16-methoxy-16-oxohexadec-7-enoic acid

C17H30O4 — CID 156891963

IUPAC(Z)-16-methoxy-16-oxohexadec-7-enoic acid
SMILESCOC(=O)CCCCCCC/C=C\CCCCCC(=O)O
InChIInChI=1S/C17H30O4/c1-21-17(20)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(18)19/h2,4H,3,5-15H2,1H3,(H,18,19)/b4-2-
InChIKeyNGKKGJHUUSMTAN-RQOWECAXSA-N
MW298.42 g/mol
LogP4.48
Rot. Bonds14

About (Z)-16-methoxy-16-oxohexadec-7-enoic acid

(Z)-16-methoxy-16-oxohexadec-7-enoic acid (PubChem CID 156891963) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is (Z)-16-methoxy-16-oxohexadec-7-enoic acid.

Molecular Properties

Compound Name(Z)-16-methoxy-16-oxohexadec-7-enoic acid
PubChem CID156891963
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name(Z)-16-methoxy-16-oxohexadec-7-enoic acid
SMILESCOC(=O)CCCCCCC/C=C\CCCCCC(=O)O
InChIInChI=1S/C17H30O4/c1-21-17(20)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(18)19/h2,4H,3,5-15H2,1H3,(H,18,19)/b4-2-
InChIKeyNGKKGJHUUSMTAN-RQOWECAXSA-N
XLogP4.48
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

dimethyl (E)-triacont-15-enedioate
CID 10767955
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
(5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid
CID 172653541
dimethyl (E)-hexacos-3-enedioate
CID 118195406
8-methoxy-8-oxooctanoic acid;hydrochloride
CID 87214836
methyl octadecanoate;(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
CID 88695330
methyl (Z)-hexadec-12-enoate
CID 10978485
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (E)-octadec-7-enoate
CID 5364440

Frequently Asked Questions

What is the IUPAC name of (Z)-16-methoxy-16-oxohexadec-7-enoic acid?
The IUPAC name of (Z)-16-methoxy-16-oxohexadec-7-enoic acid (CID 156891963) is (Z)-16-methoxy-16-oxohexadec-7-enoic acid.
What is the SMILES notation for (Z)-16-methoxy-16-oxohexadec-7-enoic acid?
The canonical SMILES for (Z)-16-methoxy-16-oxohexadec-7-enoic acid is COC(=O)CCCCCCC/C=C\CCCCCC(=O)O.
What is the InChIKey of (Z)-16-methoxy-16-oxohexadec-7-enoic acid?
The InChIKey is NGKKGJHUUSMTAN-RQOWECAXSA-N. The full InChI is InChI=1S/C17H30O4/c1-21-17(20)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16(18)19/h2,4H,3,5-15H2,1H3,(H,18,19)/b4-2-.
What are the key properties of (Z)-16-methoxy-16-oxohexadec-7-enoic acid?
(Z)-16-methoxy-16-oxohexadec-7-enoic acid has a molecular weight of 298.42 g/mol, XLogP of 4.48, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-16-methoxy-16-oxohexadec-7-enoic acid is sourced from PubChem (CID 156891963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).