(3R)-3-methyltetradecanedioic acid

C15H28O4 — CID 142577447

IUPAC(3R)-3-methyltetradecanedioic acid
SMILESC[C@H](CCCCCCCCCCC(=O)O)CC(=O)O
InChIInChI=1S/C15H28O4/c1-13(12-15(18)19)10-8-6-4-2-3-5-7-9-11-14(16)17/h13H,2-12H2,1H3,(H,16,17)(H,18,19)/t13-/m1/s1
InChIKeyHTLFNPZXCRJHSI-CYBMUJFWSA-N
MW272.38 g/mol
LogP4.08
Rot. Bonds13

About (3R)-3-methyltetradecanedioic acid

(3R)-3-methyltetradecanedioic acid (PubChem CID 142577447) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is (3R)-3-methyltetradecanedioic acid.

Molecular Properties

Compound Name(3R)-3-methyltetradecanedioic acid
PubChem CID142577447
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name(3R)-3-methyltetradecanedioic acid
SMILESC[C@H](CCCCCCCCCCC(=O)O)CC(=O)O
InChIInChI=1S/C15H28O4/c1-13(12-15(18)19)10-8-6-4-2-3-5-7-9-11-14(16)17/h13H,2-12H2,1H3,(H,16,17)(H,18,19)/t13-/m1/s1
InChIKeyHTLFNPZXCRJHSI-CYBMUJFWSA-N
XLogP4.08
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methylicosanedioic acid
CID 87117627
19-methylheptatriacontanedioic acid
CID 141009772
4-methylhexadecanedioic acid;dihydrochloride
CID 89463142
3-methylnonadecanoic acid
CID 13392624
(3S)-3-methylhexadecanoic acid
CID 54227409
12,17-dimethyloctadecanoic acid
CID 123475021
(18R)-18-methylicosanoic acid
CID 71587706
11-hydroxy-8-methylundecanoic acid
CID 87789890
(10R)-10-methylheptadecanoic acid
CID 124527302
8,12-dimethyltridecanoic acid
CID 101005175
8-methylhexadecanoic acid
CID 5312298
11-methylnonadecanoic acid
CID 52921772

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyltetradecanedioic acid?
The IUPAC name of (3R)-3-methyltetradecanedioic acid (CID 142577447) is (3R)-3-methyltetradecanedioic acid.
What is the SMILES notation for (3R)-3-methyltetradecanedioic acid?
The canonical SMILES for (3R)-3-methyltetradecanedioic acid is C[C@H](CCCCCCCCCCC(=O)O)CC(=O)O.
What is the InChIKey of (3R)-3-methyltetradecanedioic acid?
The InChIKey is HTLFNPZXCRJHSI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28O4/c1-13(12-15(18)19)10-8-6-4-2-3-5-7-9-11-14(16)17/h13H,2-12H2,1H3,(H,16,17)(H,18,19)/t13-/m1/s1.
What are the key properties of (3R)-3-methyltetradecanedioic acid?
(3R)-3-methyltetradecanedioic acid has a molecular weight of 272.38 g/mol, XLogP of 4.08, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyltetradecanedioic acid is sourced from PubChem (CID 142577447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).