ethane;methylcyclopropane

C34H98 — CID 158329065

IUPACethane;methylcyclopropane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CC1
InChIInChI=1S/C4H8.15C2H6/c1-4-2-3-4;15*1-2/h4H,2-3H2,1H3;15*1-2H3
InChIKeyGPUAHZLDYGKBIX-UHFFFAOYSA-N
MW507.16 g/mol
LogP16.81
Rot. Bonds

About ethane;methylcyclopropane

ethane;methylcyclopropane (PubChem CID 158329065) has the molecular formula C34H98 and a molecular weight of 507.16 g/mol. Its IUPAC name is ethane;methylcyclopropane.

Molecular Properties

Compound Nameethane;methylcyclopropane
PubChem CID158329065
Molecular FormulaC34H98
Molecular Weight507.16 g/mol
Exact Mass506.77
IUPAC Nameethane;methylcyclopropane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CC1
InChIInChI=1S/C4H8.15C2H6/c1-4-2-3-4;15*1-2/h4H,2-3H2,1H3;15*1-2H3
InChIKeyGPUAHZLDYGKBIX-UHFFFAOYSA-N
XLogP16.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.16
LogP ≤ 516.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;methane;methylcyclopropane
CID 159551011
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
cyclobutane;ethane;methylcyclopropane
CID 143875535
bis(1,4-dimethylcyclohexane);methane
CID 161326462
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
1,4-dimethylcyclohexane;methanol
CID 70358527
1,3,6,8-tetramethylcyclodecane
CID 162455053
(3R)-1,3-dimethylcyclopentane
CID 13119651
ethane;1,2,3,6-tetramethylcyclooctane
CID 178085066
1-bromo-4-methylcyclohexane;ethane
CID 91482050
ethane;4-methylcyclohexan-1-amine
CID 142937577

Frequently Asked Questions

What is the IUPAC name of ethane;methylcyclopropane?
The IUPAC name of ethane;methylcyclopropane (CID 158329065) is ethane;methylcyclopropane.
What is the SMILES notation for ethane;methylcyclopropane?
The canonical SMILES for ethane;methylcyclopropane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CC1.
What is the InChIKey of ethane;methylcyclopropane?
The InChIKey is GPUAHZLDYGKBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.15C2H6/c1-4-2-3-4;15*1-2/h4H,2-3H2,1H3;15*1-2H3.
What are the key properties of ethane;methylcyclopropane?
ethane;methylcyclopropane has a molecular weight of 507.16 g/mol, XLogP of 16.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylcyclopropane is sourced from PubChem (CID 158329065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).