(Z)-7-methyl-7-phenylmethoxyoct-5-enoic acid

C16H22O3 — CID 24976934

IUPAC(Z)-7-methyl-7-phenylmethoxyoct-5-enoic acid
SMILESCC(C)(/C=C\CCCC(=O)O)OCc1ccccc1
InChIInChI=1S/C16H22O3/c1-16(2,12-8-4-7-11-15(17)18)19-13-14-9-5-3-6-10-14/h3,5-6,8-10,12H,4,7,11,13H2,1-2H3,(H,17,18)/b12-8-
InChIKeyKOJJPSWBFQMTKC-WQLSENKSSA-N
MW262.35 g/mol
LogP3.79
Rot. Bonds8

About (Z)-7-methyl-7-phenylmethoxyoct-5-enoic acid

(Z)-7-methyl-7-phenylmethoxyoct-5-enoic acid (PubChem CID 24976934) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (Z)-7-methyl-7-phenylmethoxyoct-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-methyl-7-phenylmethoxyoct-5-enoic acid
PubChem CID24976934
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(Z)-7-methyl-7-phenylmethoxyoct-5-enoic acid
SMILESCC(C)(/C=C\CCCC(=O)O)OCc1ccccc1
InChIInChI=1S/C16H22O3/c1-16(2,12-8-4-7-11-15(17)18)19-13-14-9-5-3-6-10-14/h3,5-6,8-10,12H,4,7,11,13H2,1-2H3,(H,17,18)/b12-8-
InChIKeyKOJJPSWBFQMTKC-WQLSENKSSA-N
XLogP3.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(E,4S)-4-hydroxy-2,2,8-trimethyl-8-phenylmethoxynon-6-en-3-one
CID 155691972
benzyl (Z)-hept-5-enoate
CID 163975250
benzylbenzene;hex-5-enoic acid
CID 70412455
5-hydroxy-5-phenylmethoxyoctadecanoic acid
CID 101300117
(2S)-2,3,3-trimethyl-2-phenylmethoxybutanoic acid
CID 14683672
carbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene
CID 135050161
(Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid
CID 146568350
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
2-methyl-2-phenylmethoxybutanoic acid
CID 14683642
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
octadec-9-enoic acid;phenylmethanol
CID 67916229
7-oxo-7-(phenylmethoxyamino)heptanoic acid
CID 57439168

Frequently Asked Questions

What is the IUPAC name of (Z)-7-methyl-7-phenylmethoxyoct-5-enoic acid?
The IUPAC name of (Z)-7-methyl-7-phenylmethoxyoct-5-enoic acid (CID 24976934) is (Z)-7-methyl-7-phenylmethoxyoct-5-enoic acid.
What is the SMILES notation for (Z)-7-methyl-7-phenylmethoxyoct-5-enoic acid?
The canonical SMILES for (Z)-7-methyl-7-phenylmethoxyoct-5-enoic acid is CC(C)(/C=C\CCCC(=O)O)OCc1ccccc1.
What is the InChIKey of (Z)-7-methyl-7-phenylmethoxyoct-5-enoic acid?
The InChIKey is KOJJPSWBFQMTKC-WQLSENKSSA-N. The full InChI is InChI=1S/C16H22O3/c1-16(2,12-8-4-7-11-15(17)18)19-13-14-9-5-3-6-10-14/h3,5-6,8-10,12H,4,7,11,13H2,1-2H3,(H,17,18)/b12-8-.
What are the key properties of (Z)-7-methyl-7-phenylmethoxyoct-5-enoic acid?
(Z)-7-methyl-7-phenylmethoxyoct-5-enoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-methyl-7-phenylmethoxyoct-5-enoic acid is sourced from PubChem (CID 24976934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).