16-ethyl-17-methyldotriacontanoic acid

C35H70O2 — CID 87097319

IUPAC16-ethyl-17-methyldotriacontanoic acid
SMILESCCCCCCCCCCCCCCCC(C)C(CC)CCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C35H70O2/c1-4-6-7-8-9-10-11-12-15-18-21-24-27-30-33(3)34(5-2)31-28-25-22-19-16-13-14-17-20-23-26-29-32-35(36)37/h33-34H,4-32H2,1-3H3,(H,36,37)
InChIKeyHVQMGZKWRKMQCP-UHFFFAOYSA-N
MW522.94 g/mol
LogP12.68
Rot. Bonds31

About 16-ethyl-17-methyldotriacontanoic acid

16-ethyl-17-methyldotriacontanoic acid (PubChem CID 87097319) has the molecular formula C35H70O2 and a molecular weight of 522.94 g/mol. Its IUPAC name is 16-ethyl-17-methyldotriacontanoic acid.

Molecular Properties

Compound Name16-ethyl-17-methyldotriacontanoic acid
PubChem CID87097319
Molecular FormulaC35H70O2
Molecular Weight522.94 g/mol
Exact Mass522.54
IUPAC Name16-ethyl-17-methyldotriacontanoic acid
SMILESCCCCCCCCCCCCCCCC(C)C(CC)CCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C35H70O2/c1-4-6-7-8-9-10-11-12-15-18-21-24-27-30-33(3)34(5-2)31-28-25-22-19-16-13-14-17-20-23-26-29-32-35(36)37/h33-34H,4-32H2,1-3H3,(H,36,37)
InChIKeyHVQMGZKWRKMQCP-UHFFFAOYSA-N
XLogP12.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds31
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.94
LogP ≤ 512.68
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

8-ethyl-9-methylhexadecanoic acid
CID 22136884
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 16-ethyl-17-methyldotriacontanoic acid?
The IUPAC name of 16-ethyl-17-methyldotriacontanoic acid (CID 87097319) is 16-ethyl-17-methyldotriacontanoic acid.
What is the SMILES notation for 16-ethyl-17-methyldotriacontanoic acid?
The canonical SMILES for 16-ethyl-17-methyldotriacontanoic acid is CCCCCCCCCCCCCCCC(C)C(CC)CCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 16-ethyl-17-methyldotriacontanoic acid?
The InChIKey is HVQMGZKWRKMQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H70O2/c1-4-6-7-8-9-10-11-12-15-18-21-24-27-30-33(3)34(5-2)31-28-25-22-19-16-13-14-17-20-23-26-29-32-35(36)37/h33-34H,4-32H2,1-3H3,(H,36,37).
What are the key properties of 16-ethyl-17-methyldotriacontanoic acid?
16-ethyl-17-methyldotriacontanoic acid has a molecular weight of 522.94 g/mol, XLogP of 12.68, 31 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-ethyl-17-methyldotriacontanoic acid is sourced from PubChem (CID 87097319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).