ethane;2-methylpentane

C14H38 — CID 143713716

IUPACethane;2-methylpentane
SMILESCC.CC.CC.CC.CCCC(C)C
InChIInChI=1S/C6H14.4C2H6/c1-4-5-6(2)3;4*1-2/h6H,4-5H2,1-3H3;4*1-2H3
InChIKeyJXZDFFWNCJIANG-UHFFFAOYSA-N
MW206.46 g/mol
LogP6.55
Rot. Bonds2

About ethane;2-methylpentane

ethane;2-methylpentane (PubChem CID 143713716) has the molecular formula C14H38 and a molecular weight of 206.46 g/mol. Its IUPAC name is ethane;2-methylpentane.

Molecular Properties

Compound Nameethane;2-methylpentane
PubChem CID143713716
Molecular FormulaC14H38
Molecular Weight206.46 g/mol
Exact Mass206.30
IUPAC Nameethane;2-methylpentane
SMILESCC.CC.CC.CC.CCCC(C)C
InChIInChI=1S/C6H14.4C2H6/c1-4-5-6(2)3;4*1-2/h6H,4-5H2,1-3H3;4*1-2H3
InChIKeyJXZDFFWNCJIANG-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.46
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;2-methylpentane 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

ethane;methane;bis(2-methylpentane)
CID 142143156
2-methylpentane
CID 7892
2-methylpentane;hydroiodide
CID 160726714
azane;2-methylpentane
CID 18347292
azane;2-methylpentane
CID 87098569
methane;2-methylpentane;propane
CID 161026516
2-methylpentane;titanium(4+);tetrachloride
CID 158147790
ethane;2-methylpentane;pentane;propane
CID 142044971
ethanamine;2-methylpentane
CID 143240474
hexane;2-methylpentane
CID 19835603
ethane;2-methylpentane;prop-1-yne
CID 143374502
bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane)
CID 160533172

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpentane?
The IUPAC name of ethane;2-methylpentane (CID 143713716) is ethane;2-methylpentane.
What is the SMILES notation for ethane;2-methylpentane?
The canonical SMILES for ethane;2-methylpentane is CC.CC.CC.CC.CCCC(C)C.
What is the InChIKey of ethane;2-methylpentane?
The InChIKey is JXZDFFWNCJIANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.4C2H6/c1-4-5-6(2)3;4*1-2/h6H,4-5H2,1-3H3;4*1-2H3.
What are the key properties of ethane;2-methylpentane?
ethane;2-methylpentane has a molecular weight of 206.46 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpentane is sourced from PubChem (CID 143713716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).