methane;3-methylpentane

C12H38 — CID 157218592

IUPACmethane;3-methylpentane
SMILESC.C.C.C.C.C.CCC(C)CC
InChIInChI=1S/C6H14.6CH4/c1-4-6(3)5-2;;;;;;/h6H,4-5H2,1-3H3;6*1H4
InChIKeyASSFCAINXJFALD-UHFFFAOYSA-N
MW182.44 g/mol
LogP6.26
Rot. Bonds2

About methane;3-methylpentane

methane;3-methylpentane (PubChem CID 157218592) has the molecular formula C12H38 and a molecular weight of 182.44 g/mol. Its IUPAC name is methane;3-methylpentane.

Molecular Properties

Compound Namemethane;3-methylpentane
PubChem CID157218592
Molecular FormulaC12H38
Molecular Weight182.44 g/mol
Exact Mass182.30
IUPAC Namemethane;3-methylpentane
SMILESC.C.C.C.C.C.CCC(C)CC
InChIInChI=1S/C6H14.6CH4/c1-4-6(3)5-2;;;;;;/h6H,4-5H2,1-3H3;6*1H4
InChIKeyASSFCAINXJFALD-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500182.44
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;3-methylpentane
CID 153359275
3-methylpentane;propane
CID 123266773
3-methylpentane;hydrate
CID 144914279
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 157218592) is methane;3-methylpentane.
What is the SMILES notation for methane;3-methylpentane?
The canonical SMILES for methane;3-methylpentane is C.C.C.C.C.C.CCC(C)CC.
What is the InChIKey of methane;3-methylpentane?
The InChIKey is ASSFCAINXJFALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.6CH4/c1-4-6(3)5-2;;;;;;/h6H,4-5H2,1-3H3;6*1H4.
What are the key properties of methane;3-methylpentane?
methane;3-methylpentane has a molecular weight of 182.44 g/mol, XLogP of 6.26, 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 157218592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).