8-ethyl-9-methylhexadecanoic acid

C19H38O2 — CID 22136884

IUPAC8-ethyl-9-methylhexadecanoic acid
SMILESCCCCCCCC(C)C(CC)CCCCCCC(=O)O
InChIInChI=1S/C19H38O2/c1-4-6-7-8-11-14-17(3)18(5-2)15-12-9-10-13-16-19(20)21/h17-18H,4-16H2,1-3H3,(H,20,21)
InChIKeyVOONFLLSEXHXQX-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.43
Rot. Bonds15

About 8-ethyl-9-methylhexadecanoic acid

8-ethyl-9-methylhexadecanoic acid (PubChem CID 22136884) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 8-ethyl-9-methylhexadecanoic acid.

Molecular Properties

Compound Name8-ethyl-9-methylhexadecanoic acid
PubChem CID22136884
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name8-ethyl-9-methylhexadecanoic acid
SMILESCCCCCCCC(C)C(CC)CCCCCCC(=O)O
InChIInChI=1S/C19H38O2/c1-4-6-7-8-11-14-17(3)18(5-2)15-12-9-10-13-16-19(20)21/h17-18H,4-16H2,1-3H3,(H,20,21)
InChIKeyVOONFLLSEXHXQX-UHFFFAOYSA-N
XLogP6.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

16-ethyl-17-methyldotriacontanoic acid
CID 87097319
8-ethyl-7-methylhexadecane
CID 56974440
9-methyl-11-octan-2-yl-10-octylnonadecanedioic acid
CID 58224531
4-methyl-3-tridecyloctadecanoic acid
CID 57002695
8-methylhexadecanoic acid
CID 5312298
docosanoic acid;2-methylpentadecane
CID 161174634
16-methylheptadecanoic acid;tetradecane
CID 162095206
9-aminopentadecanoic acid
CID 87304604
11-methylnonadecanoic acid
CID 52921772
7-methyloctadecanoic acid;8-methyloctadecanoic acid
CID 157148422
7-methyloctanoic acid;nonanoic acid
CID 159973040
12-methylicosanoic acid
CID 15736271

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-methylhexadecanoic acid?
The IUPAC name of 8-ethyl-9-methylhexadecanoic acid (CID 22136884) is 8-ethyl-9-methylhexadecanoic acid.
What is the SMILES notation for 8-ethyl-9-methylhexadecanoic acid?
The canonical SMILES for 8-ethyl-9-methylhexadecanoic acid is CCCCCCCC(C)C(CC)CCCCCCC(=O)O.
What is the InChIKey of 8-ethyl-9-methylhexadecanoic acid?
The InChIKey is VOONFLLSEXHXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-4-6-7-8-11-14-17(3)18(5-2)15-12-9-10-13-16-19(20)21/h17-18H,4-16H2,1-3H3,(H,20,21).
What are the key properties of 8-ethyl-9-methylhexadecanoic acid?
8-ethyl-9-methylhexadecanoic acid has a molecular weight of 298.51 g/mol, XLogP of 6.43, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-methylhexadecanoic acid is sourced from PubChem (CID 22136884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).