2-methylbutane;methylcyclobutane

C10H22 — CID 57473841

IUPAC2-methylbutane;methylcyclobutane
SMILESCC1CCC1.CCC(C)C
InChIInChI=1S/C5H10.C5H12/c1-5-3-2-4-5;1-4-5(2)3/h5H,2-4H2,1H3;5H,4H2,1-3H3
InChIKeyLBTRNNCQZAYBRK-UHFFFAOYSA-N
MW142.29 g/mol
LogP3.86
Rot. Bonds1

About 2-methylbutane;methylcyclobutane

2-methylbutane;methylcyclobutane (PubChem CID 57473841) has the molecular formula C10H22 and a molecular weight of 142.29 g/mol. Its IUPAC name is 2-methylbutane;methylcyclobutane.

Molecular Properties

Compound Name2-methylbutane;methylcyclobutane
PubChem CID57473841
Molecular FormulaC10H22
Molecular Weight142.29 g/mol
Exact Mass142.17
IUPAC Name2-methylbutane;methylcyclobutane
SMILESCC1CCC1.CCC(C)C
InChIInChI=1S/C5H10.C5H12/c1-5-3-2-4-5;1-4-5(2)3/h5H,2-4H2,1H3;5H,4H2,1-3H3
InChIKeyLBTRNNCQZAYBRK-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane
CID 160734051
cyclohexane;cyclopentane;ethylcyclopropane;methanol;2-methylbutane;methylcyclobutane;methylcyclopentane;methylcyclopropane
CID 174801862
methylcyclobutane;(Z)-4-methylhex-2-ene
CID 142208255
1-methyl-5-pentan-3-ylcyclooctane
CID 161233743
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
cyclooctane;methylcyclobutane
CID 159456217
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane)
CID 144526650
cyclohexane-1,4-diol;2-methylbutane
CID 145319923

Frequently Asked Questions

What is the IUPAC name of 2-methylbutane;methylcyclobutane?
The IUPAC name of 2-methylbutane;methylcyclobutane (CID 57473841) is 2-methylbutane;methylcyclobutane.
What is the SMILES notation for 2-methylbutane;methylcyclobutane?
The canonical SMILES for 2-methylbutane;methylcyclobutane is CC1CCC1.CCC(C)C.
What is the InChIKey of 2-methylbutane;methylcyclobutane?
The InChIKey is LBTRNNCQZAYBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C5H12/c1-5-3-2-4-5;1-4-5(2)3/h5H,2-4H2,1H3;5H,4H2,1-3H3.
What are the key properties of 2-methylbutane;methylcyclobutane?
2-methylbutane;methylcyclobutane has a molecular weight of 142.29 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane;methylcyclobutane is sourced from PubChem (CID 57473841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).