6-ethyl-3,4-dimethyl-4-propyldecane

C17H36 — CID 123655302

IUPAC6-ethyl-3,4-dimethyl-4-propyldecane
SMILESCCCCC(CC)CC(C)(CCC)C(C)CC
InChIInChI=1S/C17H36/c1-7-11-12-16(10-4)14-17(6,13-8-2)15(5)9-3/h15-16H,7-14H2,1-6H3
InChIKeyXCXWRCXVEACDJY-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.45
Rot. Bonds10

About 6-ethyl-3,4-dimethyl-4-propyldecane

6-ethyl-3,4-dimethyl-4-propyldecane (PubChem CID 123655302) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 6-ethyl-3,4-dimethyl-4-propyldecane.

Molecular Properties

Compound Name6-ethyl-3,4-dimethyl-4-propyldecane
PubChem CID123655302
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name6-ethyl-3,4-dimethyl-4-propyldecane
SMILESCCCCC(CC)CC(C)(CCC)C(C)CC
InChIInChI=1S/C17H36/c1-7-11-12-16(10-4)14-17(6,13-8-2)15(5)9-3/h15-16H,7-14H2,1-6H3
InChIKeyXCXWRCXVEACDJY-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-ethyl-3,4-dimethyl-4-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

4-ethyl-2,2-dimethyloctane;2,2,4-trimethylhexane
CID 159606053
2-bromo-6-ethyl-4,4-dimethyldecane
CID 64717913
5-butan-2-yl-5-methylnonan-3-ol
CID 91506526
1-chloro-4-ethyl-2,2-dimethyloctane
CID 66060389
2,2-bis[(2S)-2-ethylhexyl]propane-1,3-diol
CID 23628776
4-ethyl-2,2-dimethylundecane
CID 57148290
(6-ethyl-4-methyldecan-4-yl) acetate
CID 87430361
4,4-bis(2-ethylhexyl)heptanedioic acid
CID 172816539
4-ethyl-2-methyl-2-propan-2-yloctanoic acid
CID 83148291
4,5-dimethyl-5-propylnonane;ethane
CID 144518109
3,5-diethylnonan-3-amine
CID 63408454
5,9-diethyl-7-(1-phosphanylethyl)tridecan-7-ol
CID 140650153

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,4-dimethyl-4-propyldecane?
The IUPAC name of 6-ethyl-3,4-dimethyl-4-propyldecane (CID 123655302) is 6-ethyl-3,4-dimethyl-4-propyldecane.
What is the SMILES notation for 6-ethyl-3,4-dimethyl-4-propyldecane?
The canonical SMILES for 6-ethyl-3,4-dimethyl-4-propyldecane is CCCCC(CC)CC(C)(CCC)C(C)CC.
What is the InChIKey of 6-ethyl-3,4-dimethyl-4-propyldecane?
The InChIKey is XCXWRCXVEACDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-7-11-12-16(10-4)14-17(6,13-8-2)15(5)9-3/h15-16H,7-14H2,1-6H3.
What are the key properties of 6-ethyl-3,4-dimethyl-4-propyldecane?
6-ethyl-3,4-dimethyl-4-propyldecane has a molecular weight of 240.47 g/mol, XLogP of 6.45, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,4-dimethyl-4-propyldecane is sourced from PubChem (CID 123655302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).