13-ethyl-16-methyltriacontane

C33H68 — CID 123421227

IUPAC13-ethyl-16-methyltriacontane
SMILESCCCCCCCCCCCCCCC(C)CCC(CC)CCCCCCCCCCCC
InChIInChI=1S/C33H68/c1-5-8-10-12-14-16-18-19-20-22-24-26-28-32(4)30-31-33(7-3)29-27-25-23-21-17-15-13-11-9-6-2/h32-33H,5-31H2,1-4H3
InChIKeyKJWDWKXHYUXODA-UHFFFAOYSA-N
MW464.91 g/mol
LogP12.83
Rot. Bonds28

About 13-ethyl-16-methyltriacontane

13-ethyl-16-methyltriacontane (PubChem CID 123421227) has the molecular formula C33H68 and a molecular weight of 464.91 g/mol. Its IUPAC name is 13-ethyl-16-methyltriacontane.

Molecular Properties

Compound Name13-ethyl-16-methyltriacontane
PubChem CID123421227
Molecular FormulaC33H68
Molecular Weight464.91 g/mol
Exact Mass464.53
IUPAC Name13-ethyl-16-methyltriacontane
SMILESCCCCCCCCCCCCCCC(C)CCC(CC)CCCCCCCCCCCC
InChIInChI=1S/C33H68/c1-5-8-10-12-14-16-18-19-20-22-24-26-28-32(4)30-31-33(7-3)29-27-25-23-21-17-15-13-11-9-6-2/h32-33H,5-31H2,1-4H3
InChIKeyKJWDWKXHYUXODA-UHFFFAOYSA-N
XLogP12.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.91
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

18-ethyl-15-methyltetratriacontane
CID 123619510
5-ethyl-8-methyltetradecane
CID 158454229
19-ethyl-15-methyltetratriacontane
CID 123150994
15,19-didecyl-11-ethyl-23-methyltritriacontane
CID 175146840
24-docosyl-21-methylheptatetracontane
CID 173071241
13-ethyl-3,8-dimethyloctadecane
CID 123214629
7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane
CID 161368370
13-methyl-24-tetradecyltritetracontane
CID 173071329
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
11,14-dimethylhexacosane
CID 86148083
7-ethyltetracosane
CID 22223872

Frequently Asked Questions

What is the IUPAC name of 13-ethyl-16-methyltriacontane?
The IUPAC name of 13-ethyl-16-methyltriacontane (CID 123421227) is 13-ethyl-16-methyltriacontane.
What is the SMILES notation for 13-ethyl-16-methyltriacontane?
The canonical SMILES for 13-ethyl-16-methyltriacontane is CCCCCCCCCCCCCCC(C)CCC(CC)CCCCCCCCCCCC.
What is the InChIKey of 13-ethyl-16-methyltriacontane?
The InChIKey is KJWDWKXHYUXODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68/c1-5-8-10-12-14-16-18-19-20-22-24-26-28-32(4)30-31-33(7-3)29-27-25-23-21-17-15-13-11-9-6-2/h32-33H,5-31H2,1-4H3.
What are the key properties of 13-ethyl-16-methyltriacontane?
13-ethyl-16-methyltriacontane has a molecular weight of 464.91 g/mol, XLogP of 12.83, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-16-methyltriacontane is sourced from PubChem (CID 123421227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).