3-ethyl-6,11-dimethyltridecane

C17H36 — CID 123237146

IUPAC3-ethyl-6,11-dimethyltridecane
SMILESCCC(C)CCCCC(C)CCC(CC)CC
InChIInChI=1S/C17H36/c1-6-15(4)11-9-10-12-16(5)13-14-17(7-2)8-3/h15-17H,6-14H2,1-5H3
InChIKeyJXZMUBWDVPXANT-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.45
Rot. Bonds11

About 3-ethyl-6,11-dimethyltridecane

3-ethyl-6,11-dimethyltridecane (PubChem CID 123237146) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 3-ethyl-6,11-dimethyltridecane.

Molecular Properties

Compound Name3-ethyl-6,11-dimethyltridecane
PubChem CID123237146
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name3-ethyl-6,11-dimethyltridecane
SMILESCCC(C)CCCCC(C)CCC(CC)CC
InChIInChI=1S/C17H36/c1-6-15(4)11-9-10-12-16(5)13-14-17(7-2)8-3/h15-17H,6-14H2,1-5H3
InChIKeyJXZMUBWDVPXANT-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.45
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

3-ethyl-8-methyldecane
CID 57490930
3-ethyl-10-methyldodecane
CID 54169175
(7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane
CID 90874427
3-ethyl-6-methyldecane
CID 57490928
3-ethyl-7-methylnonane
CID 526426
13-ethyl-3,8-dimethyloctadecane
CID 123214629
13-ethyl-16-methyltriacontane
CID 123421227
18-ethyl-15-methyltetratriacontane
CID 123619510
(3R,6S)-3,6-dimethyldecane
CID 170848353
5-ethyl-8-methyltetradecane
CID 158454229
15-butyl-3,6-dimethylhexacosane
CID 153276660
(3R,7R)-3,7-dimethylnonane
CID 42626759

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,11-dimethyltridecane?
The IUPAC name of 3-ethyl-6,11-dimethyltridecane (CID 123237146) is 3-ethyl-6,11-dimethyltridecane.
What is the SMILES notation for 3-ethyl-6,11-dimethyltridecane?
The canonical SMILES for 3-ethyl-6,11-dimethyltridecane is CCC(C)CCCCC(C)CCC(CC)CC.
What is the InChIKey of 3-ethyl-6,11-dimethyltridecane?
The InChIKey is JXZMUBWDVPXANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-6-15(4)11-9-10-12-16(5)13-14-17(7-2)8-3/h15-17H,6-14H2,1-5H3.
What are the key properties of 3-ethyl-6,11-dimethyltridecane?
3-ethyl-6,11-dimethyltridecane has a molecular weight of 240.47 g/mol, XLogP of 6.45, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,11-dimethyltridecane is sourced from PubChem (CID 123237146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).