(4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid

C19H26O3 — CID 10518482

IUPAC(4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid
SMILESCOc1ccc(C(C/C=C(\C)CCC=C(C)C)C(=O)O)cc1
InChIInChI=1S/C19H26O3/c1-14(2)6-5-7-15(3)8-13-18(19(20)21)16-9-11-17(22-4)12-10-16/h6,8-12,18H,5,7,13H2,1-4H3,(H,20,21)/b15-8+
InChIKeySKVNUEKSRXBTOV-OVCLIPMQSA-N
MW302.41 g/mol
LogP4.95
Rot. Bonds8

About (4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid

(4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid (PubChem CID 10518482) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is (4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid.

Molecular Properties

Compound Name(4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid
PubChem CID10518482
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Name(4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid
SMILESCOc1ccc(C(C/C=C(\C)CCC=C(C)C)C(=O)O)cc1
InChIInChI=1S/C19H26O3/c1-14(2)6-5-7-15(3)8-13-18(19(20)21)16-9-11-17(22-4)12-10-16/h6,8-12,18H,5,7,13H2,1-4H3,(H,20,21)/b15-8+
InChIKeySKVNUEKSRXBTOV-OVCLIPMQSA-N
XLogP4.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)sulfonyl-5,9-dimethyldeca-4,8-dienoic acid
CID 73443899
(4E)-2-(4-methoxyphenyl)sulfonyl-5,9-dimethyldeca-4,8-dienoic acid
CID 18416888
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoate
CID 10717960
4-(5,9-dimethyl-2-phenyldeca-4,8-dienoyl)oxy-2,4-diphenylbutanoic acid
CID 57137592
(2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid
CID 174832774
3-fluoro-2-(4-methoxyphenyl)propanoic acid
CID 20555403
(2R)-5-methyl-2-phenylhex-4-enoic acid
CID 71722760
1-(4-methoxyphenyl)-5-methylhex-4-en-1-one
CID 11160278
2-methoxy-5,9-dimethyldeca-4,8-dienoic acid
CID 91303762
N-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline
CID 69302470
1-[4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]phenyl]ethanone
CID 155128526

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid?
The IUPAC name of (4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid (CID 10518482) is (4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid.
What is the SMILES notation for (4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid?
The canonical SMILES for (4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid is COc1ccc(C(C/C=C(\C)CCC=C(C)C)C(=O)O)cc1.
What is the InChIKey of (4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid?
The InChIKey is SKVNUEKSRXBTOV-OVCLIPMQSA-N. The full InChI is InChI=1S/C19H26O3/c1-14(2)6-5-7-15(3)8-13-18(19(20)21)16-9-11-17(22-4)12-10-16/h6,8-12,18H,5,7,13H2,1-4H3,(H,20,21)/b15-8+.
What are the key properties of (4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid?
(4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid has a molecular weight of 302.41 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid is sourced from PubChem (CID 10518482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).