methane;1,2,4-trimethylcyclopentane

C9H20 — CID 157268000

IUPACmethane;1,2,4-trimethylcyclopentane
SMILESC.CC1CC(C)C(C)C1
InChIInChI=1S/C8H16.CH4/c1-6-4-7(2)8(3)5-6;/h6-8H,4-5H2,1-3H3;1H4
InChIKeyAYFDCKQCWFXXNZ-UHFFFAOYSA-N
MW128.26 g/mol
LogP3.32
Rot. Bonds

About methane;1,2,4-trimethylcyclopentane

methane;1,2,4-trimethylcyclopentane (PubChem CID 157268000) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is methane;1,2,4-trimethylcyclopentane.

Molecular Properties

Compound Namemethane;1,2,4-trimethylcyclopentane
PubChem CID157268000
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Namemethane;1,2,4-trimethylcyclopentane
SMILESC.CC1CC(C)C(C)C1
InChIInChI=1S/C8H16.CH4/c1-6-4-7(2)8(3)5-6;/h6-8H,4-5H2,1-3H3;1H4
InChIKeyAYFDCKQCWFXXNZ-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

deuterium monohydride;1,2-dimethylcyclopropane
CID 159192336
1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane
CID 59549992
1,2,3,5,7-pentamethylcyclooctane
CID 91401486
cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane
CID 169143039
(1R,2S,4R)-2,4-dimethylcyclopentan-1-amine
CID 134253027
1,2,4,7-tetramethylcyclononane
CID 123661715
methane;3-methylbicyclo[3.1.0]hexane
CID 143309580
2-tert-butyl-1,3,5-trimethylcyclohexane
CID 59523055
1,2-dimethylcyclopropane;propane
CID 143337919
1,2,3,4,5,6,7,8-octamethylnaphthalene;1,2,3,4-tetramethylcyclohexane;1,2,3,5-tetramethylcyclohexane;1,2,4,5-tetramethylcyclohexane
CID 161457679
(2,4-dimethylcyclopentyl)-trimethylsilane
CID 123479238
1,2-difluoro-3,5-dimethylcyclohexane
CID 89171069

Frequently Asked Questions

What is the IUPAC name of methane;1,2,4-trimethylcyclopentane?
The IUPAC name of methane;1,2,4-trimethylcyclopentane (CID 157268000) is methane;1,2,4-trimethylcyclopentane.
What is the SMILES notation for methane;1,2,4-trimethylcyclopentane?
The canonical SMILES for methane;1,2,4-trimethylcyclopentane is C.CC1CC(C)C(C)C1.
What is the InChIKey of methane;1,2,4-trimethylcyclopentane?
The InChIKey is AYFDCKQCWFXXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.CH4/c1-6-4-7(2)8(3)5-6;/h6-8H,4-5H2,1-3H3;1H4.
What are the key properties of methane;1,2,4-trimethylcyclopentane?
methane;1,2,4-trimethylcyclopentane has a molecular weight of 128.26 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,2,4-trimethylcyclopentane is sourced from PubChem (CID 157268000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).