2-methylidene-12-naphthalen-2-yloxydodecanoic acid

C23H30O3 — CID 118914918

IUPAC2-methylidene-12-naphthalen-2-yloxydodecanoic acid
SMILESC=C(CCCCCCCCCCOc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C23H30O3/c1-19(23(24)25)12-8-6-4-2-3-5-7-11-17-26-22-16-15-20-13-9-10-14-21(20)18-22/h9-10,13-16,18H,1-8,11-12,17H2,(H,24,25)
InChIKeySSXKEHJBNBEPEG-UHFFFAOYSA-N
MW354.49 g/mol
LogP6.37
Rot. Bonds13

About 2-methylidene-12-naphthalen-2-yloxydodecanoic acid

2-methylidene-12-naphthalen-2-yloxydodecanoic acid (PubChem CID 118914918) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-methylidene-12-naphthalen-2-yloxydodecanoic acid.

Molecular Properties

Compound Name2-methylidene-12-naphthalen-2-yloxydodecanoic acid
PubChem CID118914918
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name2-methylidene-12-naphthalen-2-yloxydodecanoic acid
SMILESC=C(CCCCCCCCCCOc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C23H30O3/c1-19(23(24)25)12-8-6-4-2-3-5-7-11-17-26-22-16-15-20-13-9-10-14-21(20)18-22/h9-10,13-16,18H,1-8,11-12,17H2,(H,24,25)
InChIKeySSXKEHJBNBEPEG-UHFFFAOYSA-N
XLogP6.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

7-naphthalen-2-yloxyheptanoic acid
CID 39371628
2-methylidene-9-phenoxynonanoic acid
CID 57103859
7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid
CID 142555258
2-methylidene-9-(4-phenylphenoxy)nonanoic acid
CID 118914936
8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate
CID 67166599
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
6-naphthalen-2-yloxyhexyl prop-2-enoate
CID 22598602
11-naphthalen-2-yloxyundecyl prop-2-enoate
CID 164916140
5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid
CID 138543521
1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one
CID 67841364
2-methylidene-5-(3-phenoxypropoxy)pentanoic acid
CID 70178682
9-[4-(4-cyanophenyl)phenoxy]-2-methylidenenonanoic acid
CID 66973505

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-12-naphthalen-2-yloxydodecanoic acid?
The IUPAC name of 2-methylidene-12-naphthalen-2-yloxydodecanoic acid (CID 118914918) is 2-methylidene-12-naphthalen-2-yloxydodecanoic acid.
What is the SMILES notation for 2-methylidene-12-naphthalen-2-yloxydodecanoic acid?
The canonical SMILES for 2-methylidene-12-naphthalen-2-yloxydodecanoic acid is C=C(CCCCCCCCCCOc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2-methylidene-12-naphthalen-2-yloxydodecanoic acid?
The InChIKey is SSXKEHJBNBEPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O3/c1-19(23(24)25)12-8-6-4-2-3-5-7-11-17-26-22-16-15-20-13-9-10-14-21(20)18-22/h9-10,13-16,18H,1-8,11-12,17H2,(H,24,25).
What are the key properties of 2-methylidene-12-naphthalen-2-yloxydodecanoic acid?
2-methylidene-12-naphthalen-2-yloxydodecanoic acid has a molecular weight of 354.49 g/mol, XLogP of 6.37, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-12-naphthalen-2-yloxydodecanoic acid is sourced from PubChem (CID 118914918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).