9-ethyl-3-methyltridecane

C16H34 — CID 54105230

IUPAC9-ethyl-3-methyltridecane
SMILESCCCCC(CC)CCCCCC(C)CC
InChIInChI=1S/C16H34/c1-5-8-13-16(7-3)14-11-9-10-12-15(4)6-2/h15-16H,5-14H2,1-4H3
InChIKeyZPMKJDOQWGSNMD-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.20
Rot. Bonds11

About 9-ethyl-3-methyltridecane

9-ethyl-3-methyltridecane (PubChem CID 54105230) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 9-ethyl-3-methyltridecane.

Molecular Properties

Compound Name9-ethyl-3-methyltridecane
PubChem CID54105230
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name9-ethyl-3-methyltridecane
SMILESCCCCC(CC)CCCCCC(C)CC
InChIInChI=1S/C16H34/c1-5-8-13-16(7-3)14-11-9-10-12-15(4)6-2/h15-16H,5-14H2,1-4H3
InChIKeyZPMKJDOQWGSNMD-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.20
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

7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane
CID 161368370
7-ethyl-3-methylundecane
CID 57085432
13-ethyl-3,8-dimethyloctadecane
CID 123214629
11-ethyl-3-methyltetradecane
CID 123200411
4-ethylheptane;3-methylheptane
CID 143099611
3-ethyl-10-methyldodecane
CID 54169175
3,11-dimethylpentadecane
CID 58340720
15-butyl-3,6-dimethylhexacosane
CID 153276660
5-ethyl-8-methyltetradecane
CID 158454229
19-ethyl-15-methyltetratriacontane
CID 123150994
(3R)-3-methyltetracosane
CID 162842417
hexane;3-methylnonane
CID 173294071

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-methyltridecane?
The IUPAC name of 9-ethyl-3-methyltridecane (CID 54105230) is 9-ethyl-3-methyltridecane.
What is the SMILES notation for 9-ethyl-3-methyltridecane?
The canonical SMILES for 9-ethyl-3-methyltridecane is CCCCC(CC)CCCCCC(C)CC.
What is the InChIKey of 9-ethyl-3-methyltridecane?
The InChIKey is ZPMKJDOQWGSNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-5-8-13-16(7-3)14-11-9-10-12-15(4)6-2/h15-16H,5-14H2,1-4H3.
What are the key properties of 9-ethyl-3-methyltridecane?
9-ethyl-3-methyltridecane has a molecular weight of 226.45 g/mol, XLogP of 6.20, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-methyltridecane is sourced from PubChem (CID 54105230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).