methane;3-methylpentane

C7H18 — CID 153359275

IUPACmethane;3-methylpentane
SMILESC.CCC(C)CC
InChIInChI=1S/C6H14.CH4/c1-4-6(3)5-2;/h6H,4-5H2,1-3H3;1H4
InChIKeyMHGQHHRUCVZCIZ-UHFFFAOYSA-N
MW102.22 g/mol
LogP3.08
Rot. Bonds2

About methane;3-methylpentane

methane;3-methylpentane (PubChem CID 153359275) has the molecular formula C7H18 and a molecular weight of 102.22 g/mol. Its IUPAC name is methane;3-methylpentane.

Molecular Properties

Compound Namemethane;3-methylpentane
PubChem CID153359275
Molecular FormulaC7H18
Molecular Weight102.22 g/mol
Exact Mass102.14
IUPAC Namemethane;3-methylpentane
SMILESC.CCC(C)CC
InChIInChI=1S/C6H14.CH4/c1-4-6(3)5-2;/h6H,4-5H2,1-3H3;1H4
InChIKeyMHGQHHRUCVZCIZ-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze methane;3-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

methane;3-methylpentane
CID 157218592
3-methylpentane;hydrate
CID 144914279
3-methylpentane;propane
CID 123266773
ethane;3-methylpentane
CID 91147782
ethane;ethene;methane;3-methylpentane;propane
CID 144518187
methane;3-methylpentane;tritioethyne
CID 159244363
isocyanic acid;methane;3-methylpentane
CID 174793892
acetylene;ethane;3-methylpentane;propane
CID 143705259
(4R)-2,4-dimethylhexane;methane
CID 157133469
carbonic acid;3-methylpentane
CID 173481374
3,5-dimethylheptane;ethane
CID 172617343
3-methylpentane;trimethoxysilane
CID 175171853

Frequently Asked Questions

What is the IUPAC name of methane;3-methylpentane?
The IUPAC name of methane;3-methylpentane (CID 153359275) is methane;3-methylpentane.
What is the SMILES notation for methane;3-methylpentane?
The canonical SMILES for methane;3-methylpentane is C.CCC(C)CC.
What is the InChIKey of methane;3-methylpentane?
The InChIKey is MHGQHHRUCVZCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.CH4/c1-4-6(3)5-2;/h6H,4-5H2,1-3H3;1H4.
What are the key properties of methane;3-methylpentane?
methane;3-methylpentane has a molecular weight of 102.22 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methylpentane is sourced from PubChem (CID 153359275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).