methyl (2R)-2-methyltetradecanoate

C16H32O2 — CID 163045577

IUPACmethyl (2R)-2-methyltetradecanoate
SMILESCCCCCCCCCCCC[C@@H](C)C(=O)OC
InChIInChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)16(17)18-3/h15H,4-14H2,1-3H3/t15-/m1/s1
InChIKeyRDUNHBGNJDRGRA-OAHLLOKOSA-N
MW256.43 g/mol
LogP5.11
Rot. Bonds12

About methyl (2R)-2-methyltetradecanoate

methyl (2R)-2-methyltetradecanoate (PubChem CID 163045577) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is methyl (2R)-2-methyltetradecanoate.

Molecular Properties

Compound Namemethyl (2R)-2-methyltetradecanoate
PubChem CID163045577
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Namemethyl (2R)-2-methyltetradecanoate
SMILESCCCCCCCCCCCC[C@@H](C)C(=O)OC
InChIInChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)16(17)18-3/h15H,4-14H2,1-3H3/t15-/m1/s1
InChIKeyRDUNHBGNJDRGRA-OAHLLOKOSA-N
XLogP5.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-methylnonanoate
CID 12525305
methyl (2S)-2-methylnonanoate
CID 12525304
methyl (2S)-6-amino-2-methylhexanoate;methyl (2S)-2-methylheptanoate
CID 161175791
methyl 2-methyldodecanoate;methyl tridecanoate
CID 175026615
methyl (2S)-2,13-dimethyltetradecanoate
CID 169492700
2-methyloctanoyl 2-methyloctaneperoxoate
CID 71367675
methyl 2-amino-3-methyloctanoate
CID 143581439
methyl (2R,4S)-2,4-dimethylnonanoate
CID 163049093
methyl 2-(butan-2-ylamino)octanoate
CID 61024003
dodecyl 2-methyltetradecanoate
CID 88541423
hexyl 2-methyldodecanoate
CID 174392697
butyl 2-methyloctanoate
CID 54180722

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methyltetradecanoate?
The IUPAC name of methyl (2R)-2-methyltetradecanoate (CID 163045577) is methyl (2R)-2-methyltetradecanoate.
What is the SMILES notation for methyl (2R)-2-methyltetradecanoate?
The canonical SMILES for methyl (2R)-2-methyltetradecanoate is CCCCCCCCCCCC[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2R)-2-methyltetradecanoate?
The InChIKey is RDUNHBGNJDRGRA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)16(17)18-3/h15H,4-14H2,1-3H3/t15-/m1/s1.
What are the key properties of methyl (2R)-2-methyltetradecanoate?
methyl (2R)-2-methyltetradecanoate has a molecular weight of 256.43 g/mol, XLogP of 5.11, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methyltetradecanoate is sourced from PubChem (CID 163045577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).