3-ethyl-2-methyl-5-(2-methylpropyl)nonane

C16H34 — CID 123359342

IUPAC3-ethyl-2-methyl-5-(2-methylpropyl)nonane
SMILESCCCCC(CC(C)C)CC(CC)C(C)C
InChIInChI=1S/C16H34/c1-7-9-10-15(11-13(3)4)12-16(8-2)14(5)6/h13-16H,7-12H2,1-6H3
InChIKeyHYHBSQTVUMRJNH-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.91
Rot. Bonds9

About 3-ethyl-2-methyl-5-(2-methylpropyl)nonane

3-ethyl-2-methyl-5-(2-methylpropyl)nonane (PubChem CID 123359342) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 3-ethyl-2-methyl-5-(2-methylpropyl)nonane.

Molecular Properties

Compound Name3-ethyl-2-methyl-5-(2-methylpropyl)nonane
PubChem CID123359342
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name3-ethyl-2-methyl-5-(2-methylpropyl)nonane
SMILESCCCCC(CC(C)C)CC(CC)C(C)C
InChIInChI=1S/C16H34/c1-7-9-10-15(11-13(3)4)12-16(8-2)14(5)6/h13-16H,7-12H2,1-6H3
InChIKeyHYHBSQTVUMRJNH-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-ethyl-2-methyl-5-(2-methylpropyl)nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
4-ethyl-2-propan-2-yloctan-1-ol
CID 66060699
5-(2-methylpropyl)-7-pentan-2-yltetradecane
CID 123467304
3,5-diethyl-2-methyloctane
CID 57491216
2-methyl-5-(2-methylpropyl)nonane
CID 57492288
8-ethyl-2-methyl-4-propyldodecane
CID 123360222
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
4-ethyl-2-methyldecane
CID 19893744
4-ethyl-N-methyl-2-propan-2-yloctan-1-amine
CID 63521141
4,5,7-triethylundecane
CID 123222302
trimethyl-[(2S)-2-(2-methylpropyl)hexyl]azanium
CID 170444964
bis(3-ethyl-2,5-dimethylhexane);2,3,5-trimethylhexane
CID 158124922

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-5-(2-methylpropyl)nonane?
The IUPAC name of 3-ethyl-2-methyl-5-(2-methylpropyl)nonane (CID 123359342) is 3-ethyl-2-methyl-5-(2-methylpropyl)nonane.
What is the SMILES notation for 3-ethyl-2-methyl-5-(2-methylpropyl)nonane?
The canonical SMILES for 3-ethyl-2-methyl-5-(2-methylpropyl)nonane is CCCCC(CC(C)C)CC(CC)C(C)C.
What is the InChIKey of 3-ethyl-2-methyl-5-(2-methylpropyl)nonane?
The InChIKey is HYHBSQTVUMRJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-7-9-10-15(11-13(3)4)12-16(8-2)14(5)6/h13-16H,7-12H2,1-6H3.
What are the key properties of 3-ethyl-2-methyl-5-(2-methylpropyl)nonane?
3-ethyl-2-methyl-5-(2-methylpropyl)nonane has a molecular weight of 226.45 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-5-(2-methylpropyl)nonane is sourced from PubChem (CID 123359342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).