3,3,8-trimethyl-5-propyldecane

C16H34 — CID 142826348

IUPAC3,3,8-trimethyl-5-propyldecane
SMILESCCCC(CCC(C)CC)CC(C)(C)CC
InChIInChI=1S/C16H34/c1-7-10-15(12-11-14(4)8-2)13-16(5,6)9-3/h14-15H,7-13H2,1-6H3
InChIKeySJDVNMOLKPAXGR-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.06
Rot. Bonds9

About 3,3,8-trimethyl-5-propyldecane

3,3,8-trimethyl-5-propyldecane (PubChem CID 142826348) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 3,3,8-trimethyl-5-propyldecane.

Molecular Properties

Compound Name3,3,8-trimethyl-5-propyldecane
PubChem CID142826348
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name3,3,8-trimethyl-5-propyldecane
SMILESCCCC(CCC(C)CC)CC(C)(C)CC
InChIInChI=1S/C16H34/c1-7-10-15(12-11-14(4)8-2)13-16(5,6)9-3/h14-15H,7-13H2,1-6H3
InChIKeySJDVNMOLKPAXGR-UHFFFAOYSA-N
XLogP6.06
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 ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,3,8-trimethyl-5-propyldecane 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

6-ethyl-3-methylnonane;methane
CID 142358245
5-butyl-3,3-dimethylnonane
CID 123518865
ethane;(5R)-3,3,5-trimethyloctane
CID 143538899
3,3-diethylpentane;3-ethylpentane;3-methylhexane;3-methylpentane
CID 159718510
3,3,5,7-tetramethyldecane
CID 57491663
(3R,6R)-3,6-dimethylnonane
CID 170848352
3,3,5,7-tetramethylnonane
CID 57490983
3,6,6,8-tetramethylundecane
CID 90718379
3,3,5-trimethylnonane
CID 53424862
4-ethyl-2,6,6-trimethyloctane
CID 57491162
3,3-diethylpentane;3-methylhexane;3-methylpentane
CID 160955988
3,6-dimethylnonane;ethane;3-methylpentane
CID 143978343

Frequently Asked Questions

What is the IUPAC name of 3,3,8-trimethyl-5-propyldecane?
The IUPAC name of 3,3,8-trimethyl-5-propyldecane (CID 142826348) is 3,3,8-trimethyl-5-propyldecane.
What is the SMILES notation for 3,3,8-trimethyl-5-propyldecane?
The canonical SMILES for 3,3,8-trimethyl-5-propyldecane is CCCC(CCC(C)CC)CC(C)(C)CC.
What is the InChIKey of 3,3,8-trimethyl-5-propyldecane?
The InChIKey is SJDVNMOLKPAXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-7-10-15(12-11-14(4)8-2)13-16(5,6)9-3/h14-15H,7-13H2,1-6H3.
What are the key properties of 3,3,8-trimethyl-5-propyldecane?
3,3,8-trimethyl-5-propyldecane has a molecular weight of 226.45 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8-trimethyl-5-propyldecane is sourced from PubChem (CID 142826348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).