(2R)-2-methyl-4-oxopentadecanoic acid

C16H30O3 — CID 163018210

IUPAC(2R)-2-methyl-4-oxopentadecanoic acid
SMILESCCCCCCCCCCCC(=O)C[C@@H](C)C(=O)O
InChIInChI=1S/C16H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)13-14(2)16(18)19/h14H,3-13H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyGVHVXECTVZRTNB-CQSZACIVSA-N
MW270.41 g/mol
LogP4.59
Rot. Bonds13

About (2R)-2-methyl-4-oxopentadecanoic acid

(2R)-2-methyl-4-oxopentadecanoic acid (PubChem CID 163018210) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is (2R)-2-methyl-4-oxopentadecanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-4-oxopentadecanoic acid
PubChem CID163018210
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name(2R)-2-methyl-4-oxopentadecanoic acid
SMILESCCCCCCCCCCCC(=O)C[C@@H](C)C(=O)O
InChIInChI=1S/C16H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)13-14(2)16(18)19/h14H,3-13H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyGVHVXECTVZRTNB-CQSZACIVSA-N
XLogP4.59
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

15-methyltriacontane-14,17-dione
CID 57233805
2-methylhexadecan-4-one
CID 63411798
(2S)-2-hydroxy-4-oxodecanoic acid
CID 54543657
2-hydroxyundecan-4-one
CID 57218315
2-methylhexadecane-4,7-dione
CID 57053022
4-methyltetradecan-6-one
CID 12635285
5-methyltridecan-7-one
CID 71413449
12-methylhenicosan-10-one
CID 71761778
(2S,3R)-2-amino-3-hydroxy-5-oxooctadecanoic acid
CID 174767583
(2R)-2-amino-4-methyl-6-oxohenicosanoic acid
CID 90102873
(9Z,29Z)-19-methyloctatriaconta-9,29-diene-18,21-dione
CID 87602106
2-methyltetradecan-5-one
CID 19931308

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-oxopentadecanoic acid?
The IUPAC name of (2R)-2-methyl-4-oxopentadecanoic acid (CID 163018210) is (2R)-2-methyl-4-oxopentadecanoic acid.
What is the SMILES notation for (2R)-2-methyl-4-oxopentadecanoic acid?
The canonical SMILES for (2R)-2-methyl-4-oxopentadecanoic acid is CCCCCCCCCCCC(=O)C[C@@H](C)C(=O)O.
What is the InChIKey of (2R)-2-methyl-4-oxopentadecanoic acid?
The InChIKey is GVHVXECTVZRTNB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)13-14(2)16(18)19/h14H,3-13H2,1-2H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-methyl-4-oxopentadecanoic acid?
(2R)-2-methyl-4-oxopentadecanoic acid has a molecular weight of 270.41 g/mol, XLogP of 4.59, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-oxopentadecanoic acid is sourced from PubChem (CID 163018210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).