ethane;2-methylpropane;propane;2,4,7-trimethyloctane

C20H48 — CID 144533739

IUPACethane;2-methylpropane;propane;2,4,7-trimethyloctane
SMILESCC.CC(C)C.CC(C)CCC(C)CC(C)C.CCC
InChIInChI=1S/C11H24.C4H10.C3H8.C2H6/c1-9(2)6-7-11(5)8-10(3)4;1-4(2)3;1-3-2;1-2/h9-11H,6-8H2,1-5H3;4H,1-3H3;3H2,1-2H3;1-2H3
InChIKeyKGLIUZLTKUQCMT-UHFFFAOYSA-N
MW288.60 g/mol
LogP8.21
Rot. Bonds5

About ethane;2-methylpropane;propane;2,4,7-trimethyloctane

ethane;2-methylpropane;propane;2,4,7-trimethyloctane (PubChem CID 144533739) has the molecular formula C20H48 and a molecular weight of 288.60 g/mol. Its IUPAC name is ethane;2-methylpropane;propane;2,4,7-trimethyloctane.

Molecular Properties

Compound Nameethane;2-methylpropane;propane;2,4,7-trimethyloctane
PubChem CID144533739
Molecular FormulaC20H48
Molecular Weight288.60 g/mol
Exact Mass288.38
IUPAC Nameethane;2-methylpropane;propane;2,4,7-trimethyloctane
SMILESCC.CC(C)C.CC(C)CCC(C)CC(C)C.CCC
InChIInChI=1S/C11H24.C4H10.C3H8.C2H6/c1-9(2)6-7-11(5)8-10(3)4;1-4(2)3;1-3-2;1-2/h9-11H,6-8H2,1-5H3;4H,1-3H3;3H2,1-2H3;1-2H3
InChIKeyKGLIUZLTKUQCMT-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.60
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;2-methylpropane;propane;2,4,7-trimethyloctane 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

2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane
CID 158252913
propane;2,4,6-trimethylheptane
CID 165013878
2-bromo-4,7-dimethyloctane
CID 64718592
2,4,7,9-tetramethylundecane
CID 91346710
2,5-dimethylheptane;propane
CID 145235091
1-bromo-3,5-dimethylhexane
CID 10867183
2,4-dimethylhexane;propane
CID 143348383
2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417
2,4,6,8,10,12-hexamethylpentadecane
CID 15607000
2,4,5,8,10-pentamethylundecane
CID 123878114
7-fluoro-2,4-dimethyloctane
CID 134387791
2,4,6,8,10-pentamethyltridecane
CID 20715673

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;propane;2,4,7-trimethyloctane?
The IUPAC name of ethane;2-methylpropane;propane;2,4,7-trimethyloctane (CID 144533739) is ethane;2-methylpropane;propane;2,4,7-trimethyloctane.
What is the SMILES notation for ethane;2-methylpropane;propane;2,4,7-trimethyloctane?
The canonical SMILES for ethane;2-methylpropane;propane;2,4,7-trimethyloctane is CC.CC(C)C.CC(C)CCC(C)CC(C)C.CCC.
What is the InChIKey of ethane;2-methylpropane;propane;2,4,7-trimethyloctane?
The InChIKey is KGLIUZLTKUQCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.C4H10.C3H8.C2H6/c1-9(2)6-7-11(5)8-10(3)4;1-4(2)3;1-3-2;1-2/h9-11H,6-8H2,1-5H3;4H,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methylpropane;propane;2,4,7-trimethyloctane?
ethane;2-methylpropane;propane;2,4,7-trimethyloctane has a molecular weight of 288.60 g/mol, XLogP of 8.21, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;propane;2,4,7-trimethyloctane is sourced from PubChem (CID 144533739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).