(5Z,8R)-8-[(4-methoxyphenyl)methoxy]deca-5,9-dienoic acid

C18H24O4 — CID 54672585

IUPAC(5Z,8R)-8-[(4-methoxyphenyl)methoxy]deca-5,9-dienoic acid
SMILESC=C[C@@H](C/C=C\CCCC(=O)O)OCc1ccc(OC)cc1
InChIInChI=1S/C18H24O4/c1-3-16(8-6-4-5-7-9-18(19)20)22-14-15-10-12-17(21-2)13-11-15/h3-4,6,10-13,16H,1,5,7-9,14H2,2H3,(H,19,20)/b6-4-/t16-/m0/s1
InChIKeyXAOVQVBVQALHAH-LEXSJLIMSA-N
MW304.39 g/mol
LogP3.97
Rot. Bonds11

About (5Z,8R)-8-[(4-methoxyphenyl)methoxy]deca-5,9-dienoic acid

(5Z,8R)-8-[(4-methoxyphenyl)methoxy]deca-5,9-dienoic acid (PubChem CID 54672585) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is (5Z,8R)-8-[(4-methoxyphenyl)methoxy]deca-5,9-dienoic acid.

Molecular Properties

Compound Name(5Z,8R)-8-[(4-methoxyphenyl)methoxy]deca-5,9-dienoic acid
PubChem CID54672585
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name(5Z,8R)-8-[(4-methoxyphenyl)methoxy]deca-5,9-dienoic acid
SMILESC=C[C@@H](C/C=C\CCCC(=O)O)OCc1ccc(OC)cc1
InChIInChI=1S/C18H24O4/c1-3-16(8-6-4-5-7-9-18(19)20)22-14-15-10-12-17(21-2)13-11-15/h3-4,6,10-13,16H,1,5,7-9,14H2,2H3,(H,19,20)/b6-4-/t16-/m0/s1
InChIKeyXAOVQVBVQALHAH-LEXSJLIMSA-N
XLogP3.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.97
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

(5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal
CID 71665399
16-[(4-methoxyphenyl)methoxy]-16-oxohexadecanoic acid
CID 58079476
(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol
CID 102381132
(3S,4R,5S)-4-benzyl-5-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 118194675
methyl (13R,14S)-13-[(4-methoxyphenyl)methoxy]-14-methylhexadec-9-enoate
CID 156768302
(2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol
CID 11673005
(Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid
CID 146568350
N-hydroxy-7-[(4-methoxyphenyl)methoxy]-8-oxooctanamide
CID 145473731
1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene
CID 173117366
(Z)-1-(4-methoxyphenyl)non-7-en-3-one
CID 102031685
2-[(4-methoxyphenyl)methoxy]hex-4-en-3-one
CID 78069334
(Z,2S)-2-[(4-methoxyphenyl)methoxy]hex-4-en-3-one
CID 121458348

Frequently Asked Questions

What is the IUPAC name of (5Z,8R)-8-[(4-methoxyphenyl)methoxy]deca-5,9-dienoic acid?
The IUPAC name of (5Z,8R)-8-[(4-methoxyphenyl)methoxy]deca-5,9-dienoic acid (CID 54672585) is (5Z,8R)-8-[(4-methoxyphenyl)methoxy]deca-5,9-dienoic acid.
What is the SMILES notation for (5Z,8R)-8-[(4-methoxyphenyl)methoxy]deca-5,9-dienoic acid?
The canonical SMILES for (5Z,8R)-8-[(4-methoxyphenyl)methoxy]deca-5,9-dienoic acid is C=C[C@@H](C/C=C\CCCC(=O)O)OCc1ccc(OC)cc1.
What is the InChIKey of (5Z,8R)-8-[(4-methoxyphenyl)methoxy]deca-5,9-dienoic acid?
The InChIKey is XAOVQVBVQALHAH-LEXSJLIMSA-N. The full InChI is InChI=1S/C18H24O4/c1-3-16(8-6-4-5-7-9-18(19)20)22-14-15-10-12-17(21-2)13-11-15/h3-4,6,10-13,16H,1,5,7-9,14H2,2H3,(H,19,20)/b6-4-/t16-/m0/s1.
What are the key properties of (5Z,8R)-8-[(4-methoxyphenyl)methoxy]deca-5,9-dienoic acid?
(5Z,8R)-8-[(4-methoxyphenyl)methoxy]deca-5,9-dienoic acid has a molecular weight of 304.39 g/mol, XLogP of 3.97, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8R)-8-[(4-methoxyphenyl)methoxy]deca-5,9-dienoic acid is sourced from PubChem (CID 54672585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).