3-ethyl-3,4,6,7,8-pentamethyldecane

C17H36 — CID 123231235

IUPAC3-ethyl-3,4,6,7,8-pentamethyldecane
SMILESCCC(C)C(C)C(C)CC(C)C(C)(CC)CC
InChIInChI=1S/C17H36/c1-9-13(4)16(7)14(5)12-15(6)17(8,10-2)11-3/h13-16H,9-12H2,1-8H3
InChIKeyBSAIJMYUAAJOEE-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.16
Rot. Bonds8

About 3-ethyl-3,4,6,7,8-pentamethyldecane

3-ethyl-3,4,6,7,8-pentamethyldecane (PubChem CID 123231235) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 3-ethyl-3,4,6,7,8-pentamethyldecane.

Molecular Properties

Compound Name3-ethyl-3,4,6,7,8-pentamethyldecane
PubChem CID123231235
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name3-ethyl-3,4,6,7,8-pentamethyldecane
SMILESCCC(C)C(C)C(C)CC(C)C(C)(CC)CC
InChIInChI=1S/C17H36/c1-9-13(4)16(7)14(5)12-15(6)17(8,10-2)11-3/h13-16H,9-12H2,1-8H3
InChIKeyBSAIJMYUAAJOEE-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-ethyl-3,4,6,7,8-pentamethyldecane 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

2,2,3,4,5-pentamethylheptane
CID 53428630
3,4,5,6,8-pentamethyldecane
CID 123810037
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
3-ethyl-2-hydroperoxy-3-methylpentane
CID 90139339
(4S)-2,3,4-trimethylhexane
CID 58359072
3,4,5,7-tetramethylundecane
CID 123179058
7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane
CID 90819140
4,5,6-trimethyloct-1-ene
CID 91354249
2-ethyl-2,3-dimethylpentane-1-thiol
CID 123266767
2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane)
CID 158330539
4-ethyl-4-methylhexan-3-amine
CID 163866952
(3-ethyl-2,3-dimethylpentyl) formate
CID 87470285

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,4,6,7,8-pentamethyldecane?
The IUPAC name of 3-ethyl-3,4,6,7,8-pentamethyldecane (CID 123231235) is 3-ethyl-3,4,6,7,8-pentamethyldecane.
What is the SMILES notation for 3-ethyl-3,4,6,7,8-pentamethyldecane?
The canonical SMILES for 3-ethyl-3,4,6,7,8-pentamethyldecane is CCC(C)C(C)C(C)CC(C)C(C)(CC)CC.
What is the InChIKey of 3-ethyl-3,4,6,7,8-pentamethyldecane?
The InChIKey is BSAIJMYUAAJOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-9-13(4)16(7)14(5)12-15(6)17(8,10-2)11-3/h13-16H,9-12H2,1-8H3.
What are the key properties of 3-ethyl-3,4,6,7,8-pentamethyldecane?
3-ethyl-3,4,6,7,8-pentamethyldecane has a molecular weight of 240.47 g/mol, XLogP of 6.16, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,4,6,7,8-pentamethyldecane is sourced from PubChem (CID 123231235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).