ethane;methane;methylcyclopropane

C60H190 — CID 159551011

IUPACethane;methane;methylcyclopropane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CC1
InChIInChI=1S/C4H8.21C2H6.14CH4/c1-4-2-3-4;21*1-2;;;;;;;;;;;;;;/h4H,2-3H2,1H3;21*1-2H3;14*1H4
InChIKeyMFJSGMBAYBOMMV-UHFFFAOYSA-N
MW912.18 g/mol
LogP31.87
Rot. Bonds

About ethane;methane;methylcyclopropane

ethane;methane;methylcyclopropane (PubChem CID 159551011) has the molecular formula C60H190 and a molecular weight of 912.18 g/mol. Its IUPAC name is ethane;methane;methylcyclopropane.

Molecular Properties

Compound Nameethane;methane;methylcyclopropane
PubChem CID159551011
Molecular FormulaC60H190
Molecular Weight912.18 g/mol
Exact Mass911.49
IUPAC Nameethane;methane;methylcyclopropane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CC1
InChIInChI=1S/C4H8.21C2H6.14CH4/c1-4-2-3-4;21*1-2;;;;;;;;;;;;;;/h4H,2-3H2,1H3;21*1-2H3;14*1H4
InChIKeyMFJSGMBAYBOMMV-UHFFFAOYSA-N
XLogP31.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.18
LogP ≤ 531.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;methylcyclopropane
CID 158329065
bis(1,4-dimethylcyclohexane);methane
CID 161326462
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
cyclobutane;ethane;methylcyclopropane
CID 143875535
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179
tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide
CID 160985954
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen
CID 160864488
2,2-dimethylpropane;methane;methylcyclopropane
CID 161488522
ethane;1,2,3,6-tetramethylcyclooctane
CID 178085066
bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657
1,2,3,4,7-pentamethylcyclononane
CID 123773414

Frequently Asked Questions

What is the IUPAC name of ethane;methane;methylcyclopropane?
The IUPAC name of ethane;methane;methylcyclopropane (CID 159551011) is ethane;methane;methylcyclopropane.
What is the SMILES notation for ethane;methane;methylcyclopropane?
The canonical SMILES for ethane;methane;methylcyclopropane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CC1.
What is the InChIKey of ethane;methane;methylcyclopropane?
The InChIKey is MFJSGMBAYBOMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.21C2H6.14CH4/c1-4-2-3-4;21*1-2;;;;;;;;;;;;;;/h4H,2-3H2,1H3;21*1-2H3;14*1H4.
What are the key properties of ethane;methane;methylcyclopropane?
ethane;methane;methylcyclopropane has a molecular weight of 912.18 g/mol, XLogP of 31.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;methylcyclopropane is sourced from PubChem (CID 159551011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).