2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane

C19H44 — CID 158252913

IUPAC2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane
SMILESCC(C)C.CC(C)CC(C)C.CC(C)CCC(C)C
InChIInChI=1S/C8H18.C7H16.C4H10/c1-7(2)5-6-8(3)4;1-6(2)5-7(3)4;1-4(2)3/h7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3;4H,1-3H3
InChIKeyGGXXNMQTAFYJIE-UHFFFAOYSA-N
MW272.56 g/mol
LogP7.43
Rot. Bonds5

About 2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane

2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane (PubChem CID 158252913) has the molecular formula C19H44 and a molecular weight of 272.56 g/mol. Its IUPAC name is 2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane.

Molecular Properties

Compound Name2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane
PubChem CID158252913
Molecular FormulaC19H44
Molecular Weight272.56 g/mol
Exact Mass272.34
IUPAC Name2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane
SMILESCC(C)C.CC(C)CC(C)C.CC(C)CCC(C)C
InChIInChI=1S/C8H18.C7H16.C4H10/c1-7(2)5-6-8(3)4;1-6(2)5-7(3)4;1-4(2)3/h7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3;4H,1-3H3
InChIKeyGGXXNMQTAFYJIE-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.56
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane 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

2,4-dimethylpentane
CID 157050020
2,4-dimethylpentane;methane
CID 159476318
ethane;2-methylpropane;propane;2,4,7-trimethyloctane
CID 144533739
acetylene;2,4-dimethylpentane
CID 167651238
2,5,8-trimethyl-4-(2-methylpropyl)nonane
CID 18961431
4-ethyl-2,7-dimethyloctane
CID 53423923
2,9-dimethyl-5,6-bis(3-methylbutyl)decane
CID 139994880
2,8-dimethyl-5-(3-methylbutyl)nonane
CID 57230829
2,5-dimethylheptane
CID 90756934
2,7-dimethyloctane;2,4,6-trimethylheptane
CID 160877277
bis(2,4-dimethylpentane);propane;tungsten(2+)
CID 157303030
(Z)-but-2-ene;2,5-dimethylhexane
CID 144935211

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane?
The IUPAC name of 2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane (CID 158252913) is 2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane.
What is the SMILES notation for 2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane?
The canonical SMILES for 2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane is CC(C)C.CC(C)CC(C)C.CC(C)CCC(C)C.
What is the InChIKey of 2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane?
The InChIKey is GGXXNMQTAFYJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C7H16.C4H10/c1-7(2)5-6-8(3)4;1-6(2)5-7(3)4;1-4(2)3/h7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3;4H,1-3H3.
What are the key properties of 2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane?
2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane has a molecular weight of 272.56 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane is sourced from PubChem (CID 158252913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).