11-ethyl-2,4,5-trimethyltridecane

C18H38 — CID 91241452

IUPAC11-ethyl-2,4,5-trimethyltridecane
SMILESCCC(CC)CCCCCC(C)C(C)CC(C)C
InChIInChI=1S/C18H38/c1-7-18(8-2)13-11-9-10-12-16(5)17(6)14-15(3)4/h15-18H,7-14H2,1-6H3
InChIKeySBNVFXKGLZBQKU-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.69
Rot. Bonds11

About 11-ethyl-2,4,5-trimethyltridecane

11-ethyl-2,4,5-trimethyltridecane (PubChem CID 91241452) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 11-ethyl-2,4,5-trimethyltridecane.

Molecular Properties

Compound Name11-ethyl-2,4,5-trimethyltridecane
PubChem CID91241452
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name11-ethyl-2,4,5-trimethyltridecane
SMILESCCC(CC)CCCCCC(C)C(C)CC(C)C
InChIInChI=1S/C18H38/c1-7-18(8-2)13-11-9-10-12-16(5)17(6)14-15(3)4/h15-18H,7-14H2,1-6H3
InChIKeySBNVFXKGLZBQKU-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.69
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

2,4,5-trimethyldodecane
CID 123969029
4-ethyl-2-methyldecane
CID 19893744
3-ethyl-10-methyldodecane
CID 54169175
14-ethyl-2,6,7,10-tetramethylhexadecane
CID 159635838
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
(5R)-N,5,6,8-tetramethylnonan-1-amine
CID 174103380
3,7-diethylnonane
CID 22089120
3-ethyl-8-methyldecane
CID 57490930
ethane;3-ethylundecane
CID 144815521
10-ethyl-2-methyltridecane
CID 173195663
8,9-dimethylhexacosane
CID 160651612

Frequently Asked Questions

What is the IUPAC name of 11-ethyl-2,4,5-trimethyltridecane?
The IUPAC name of 11-ethyl-2,4,5-trimethyltridecane (CID 91241452) is 11-ethyl-2,4,5-trimethyltridecane.
What is the SMILES notation for 11-ethyl-2,4,5-trimethyltridecane?
The canonical SMILES for 11-ethyl-2,4,5-trimethyltridecane is CCC(CC)CCCCCC(C)C(C)CC(C)C.
What is the InChIKey of 11-ethyl-2,4,5-trimethyltridecane?
The InChIKey is SBNVFXKGLZBQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-7-18(8-2)13-11-9-10-12-16(5)17(6)14-15(3)4/h15-18H,7-14H2,1-6H3.
What are the key properties of 11-ethyl-2,4,5-trimethyltridecane?
11-ethyl-2,4,5-trimethyltridecane has a molecular weight of 254.50 g/mol, XLogP of 6.69, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-2,4,5-trimethyltridecane is sourced from PubChem (CID 91241452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).