4-dec-3-enoxy-2-methylbenzoic acid

C18H26O3 — CID 70010331

IUPAC4-dec-3-enoxy-2-methylbenzoic acid
SMILESCCCCCCC=CCCOc1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C18H26O3/c1-3-4-5-6-7-8-9-10-13-21-16-11-12-17(18(19)20)15(2)14-16/h8-9,11-12,14H,3-7,10,13H2,1-2H3,(H,19,20)
InChIKeyDGECYXIISNRUSJ-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.99
Rot. Bonds10

About 4-dec-3-enoxy-2-methylbenzoic acid

4-dec-3-enoxy-2-methylbenzoic acid (PubChem CID 70010331) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 4-dec-3-enoxy-2-methylbenzoic acid.

Molecular Properties

Compound Name4-dec-3-enoxy-2-methylbenzoic acid
PubChem CID70010331
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name4-dec-3-enoxy-2-methylbenzoic acid
SMILESCCCCCCC=CCCOc1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C18H26O3/c1-3-4-5-6-7-8-9-10-13-21-16-11-12-17(18(19)20)15(2)14-16/h8-9,11-12,14H,3-7,10,13H2,1-2H3,(H,19,20)
InChIKeyDGECYXIISNRUSJ-UHFFFAOYSA-N
XLogP4.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.99
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

5-hexoxy-2-methylbenzoic acid;hydrochloride
CID 129135578
4-decoxy-2-hexoxybenzoic acid
CID 141156533
2-but-3-enoxy-4-octoxybenzoic acid
CID 19426217
3,4-bis(octadec-9-enoxy)benzoic acid
CID 67144048
4-[(Z)-octadec-9-enoxy]benzenesulfonic acid
CID 88620500
2-methyl-4-(3-phenylpropoxy)benzoic acid
CID 81293485
5-hexoxy-2-hydroxybenzoic acid
CID 19036724
2-amino-5-heptoxybenzoic acid
CID 54888058
2,5-didodecoxybenzoic acid
CID 168826367
5-hexadecoxy-2-hydroxybenzoic acid
CID 21495003
2-(4-butoxyphenyl)-4-hexoxybenzoic acid
CID 70214370
2-iodyl-5-octoxybenzoic acid
CID 3828881

Frequently Asked Questions

What is the IUPAC name of 4-dec-3-enoxy-2-methylbenzoic acid?
The IUPAC name of 4-dec-3-enoxy-2-methylbenzoic acid (CID 70010331) is 4-dec-3-enoxy-2-methylbenzoic acid.
What is the SMILES notation for 4-dec-3-enoxy-2-methylbenzoic acid?
The canonical SMILES for 4-dec-3-enoxy-2-methylbenzoic acid is CCCCCCC=CCCOc1ccc(C(=O)O)c(C)c1.
What is the InChIKey of 4-dec-3-enoxy-2-methylbenzoic acid?
The InChIKey is DGECYXIISNRUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-3-4-5-6-7-8-9-10-13-21-16-11-12-17(18(19)20)15(2)14-16/h8-9,11-12,14H,3-7,10,13H2,1-2H3,(H,19,20).
What are the key properties of 4-dec-3-enoxy-2-methylbenzoic acid?
4-dec-3-enoxy-2-methylbenzoic acid has a molecular weight of 290.40 g/mol, XLogP of 4.99, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dec-3-enoxy-2-methylbenzoic acid is sourced from PubChem (CID 70010331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).