[(14R)-14-methylhexadecyl] acetate

C19H38O2 — CID 102479954

IUPAC[(14R)-14-methylhexadecyl] acetate
SMILESCC[C@@H](C)CCCCCCCCCCCCCOC(C)=O
InChIInChI=1S/C19H38O2/c1-4-18(2)16-14-12-10-8-6-5-7-9-11-13-15-17-21-19(3)20/h18H,4-17H2,1-3H3/t18-/m1/s1
InChIKeyBWYNHTOHVSBZTG-GOSISDBHSA-N
MW298.51 g/mol
LogP6.28
Rot. Bonds15

About [(14R)-14-methylhexadecyl] acetate

[(14R)-14-methylhexadecyl] acetate (PubChem CID 102479954) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is [(14R)-14-methylhexadecyl] acetate.

Molecular Properties

Compound Name[(14R)-14-methylhexadecyl] acetate
PubChem CID102479954
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name[(14R)-14-methylhexadecyl] acetate
SMILESCC[C@@H](C)CCCCCCCCCCCCCOC(C)=O
InChIInChI=1S/C19H38O2/c1-4-18(2)16-14-12-10-8-6-5-7-9-11-13-15-17-21-19(3)20/h18H,4-17H2,1-3H3/t18-/m1/s1
InChIKeyBWYNHTOHVSBZTG-GOSISDBHSA-N
XLogP6.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(14R)-14-methylhexadecyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(8S)-8-methyldecyl] acetate
CID 139653084
6-methylheptyl acetate
CID 175958030
11-acetyloxyundecyl acetate
CID 87784419
5-methylheptyl 2,2-dimethylpropanoate
CID 174762068
6-(hydroxymethyl)octyl acetate
CID 175369480
tricosyl 12-methyltetradecanoate
CID 134812031
hexadecyl 12-methyltetradecanoate
CID 134812024
5-chloroheptyl acetate
CID 527863
5-hydroxyhexyl acetate;hydrate
CID 175237271
[(6R)-6,7,7-trimethyloctyl] acetate
CID 138647380
2-methylbutyl acetate
CID 90958828
2-(7-methylnonoxy)ethanamine
CID 90169866

Frequently Asked Questions

What is the IUPAC name of [(14R)-14-methylhexadecyl] acetate?
The IUPAC name of [(14R)-14-methylhexadecyl] acetate (CID 102479954) is [(14R)-14-methylhexadecyl] acetate.
What is the SMILES notation for [(14R)-14-methylhexadecyl] acetate?
The canonical SMILES for [(14R)-14-methylhexadecyl] acetate is CC[C@@H](C)CCCCCCCCCCCCCOC(C)=O.
What is the InChIKey of [(14R)-14-methylhexadecyl] acetate?
The InChIKey is BWYNHTOHVSBZTG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H38O2/c1-4-18(2)16-14-12-10-8-6-5-7-9-11-13-15-17-21-19(3)20/h18H,4-17H2,1-3H3/t18-/m1/s1.
What are the key properties of [(14R)-14-methylhexadecyl] acetate?
[(14R)-14-methylhexadecyl] acetate has a molecular weight of 298.51 g/mol, XLogP of 6.28, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(14R)-14-methylhexadecyl] acetate is sourced from PubChem (CID 102479954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).