methane;methylcyclobutane;3-methyloxolane

C11H24O — CID 160852925

IUPACmethane;methylcyclobutane;3-methyloxolane
SMILESC.CC1CCC1.CC1CCOC1
InChIInChI=1S/C5H10O.C5H10.CH4/c1-5-2-3-6-4-5;1-5-3-2-4-5;/h5H,2-4H2,1H3;5H,2-4H2,1H3;1H4
InChIKeySJMNIAYFHQKKIW-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.49
Rot. Bonds

About methane;methylcyclobutane;3-methyloxolane

methane;methylcyclobutane;3-methyloxolane (PubChem CID 160852925) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is methane;methylcyclobutane;3-methyloxolane.

Molecular Properties

Compound Namemethane;methylcyclobutane;3-methyloxolane
PubChem CID160852925
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Namemethane;methylcyclobutane;3-methyloxolane
SMILESC.CC1CCC1.CC1CCOC1
InChIInChI=1S/C5H10O.C5H10.CH4/c1-5-2-3-6-4-5;1-5-3-2-4-5;/h5H,2-4H2,1H3;5H,2-4H2,1H3;1H4
InChIKeySJMNIAYFHQKKIW-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze methane;methylcyclobutane;3-methyloxolane 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

(3S)-3-methyloxolane
CID 7857636
3-methyloxane;3-methyloxetane;3-methyloxolane
CID 159375413
ethane;4-methyloxane;3-methyloxolane
CID 170734292
ethane;(3S)-3-methyloxane;sulfane
CID 158056662
3-methyloxane;oxolane
CID 139878979
3-methyloxolane;silyloxysilane
CID 173163882
methylcyclohexane;3-methyloxane
CID 144617317
methylcyclobutane;methylcyclohexane;3-methyloxane;3-methyloxolane;4-methylpiperidine;3-methylpyrrolidine
CID 161332742
cyclohexane;4-methyloxane
CID 144563977
3-methyloxane;1-methylpiperidine
CID 142590694
[(2R,7R,11R,15S,19S,22S,26S,30R,34R,38R,43R,47R,51S,55S,58R,62S,66R,70R)-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol
CID 162968158
1-methoxy-2-methylpropane;3-methyloxolane
CID 159278153

Frequently Asked Questions

What is the IUPAC name of methane;methylcyclobutane;3-methyloxolane?
The IUPAC name of methane;methylcyclobutane;3-methyloxolane (CID 160852925) is methane;methylcyclobutane;3-methyloxolane.
What is the SMILES notation for methane;methylcyclobutane;3-methyloxolane?
The canonical SMILES for methane;methylcyclobutane;3-methyloxolane is C.CC1CCC1.CC1CCOC1.
What is the InChIKey of methane;methylcyclobutane;3-methyloxolane?
The InChIKey is SJMNIAYFHQKKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C5H10.CH4/c1-5-2-3-6-4-5;1-5-3-2-4-5;/h5H,2-4H2,1H3;5H,2-4H2,1H3;1H4.
What are the key properties of methane;methylcyclobutane;3-methyloxolane?
methane;methylcyclobutane;3-methyloxolane has a molecular weight of 172.31 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methylcyclobutane;3-methyloxolane is sourced from PubChem (CID 160852925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).