1,2-diethylcyclopropane;2,3-diethyl-1,1-dimethylcyclopropane;1,2-diethyl-3-methylcyclopropane;methane

C25H52 — CID 159057840

IUPAC1,2-diethylcyclopropane;2,3-diethyl-1,1-dimethylcyclopropane;1,2-diethyl-3-methylcyclopropane;methane
SMILESC.CCC1C(C)C1CC.CCC1C(CC)C1(C)C.CCC1CC1CC
InChIInChI=1S/C9H18.C8H16.C7H14.CH4/c1-5-7-8(6-2)9(7,3)4;1-4-7-6(3)8(7)5-2;1-3-6-5-7(6)4-2;/h7-8H,5-6H2,1-4H3;6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;1H4
InChIKeyJYBWAUDTEXXDNO-UHFFFAOYSA-N
MW352.69 g/mol
LogP8.85
Rot. Bonds6

About 1,2-diethylcyclopropane;2,3-diethyl-1,1-dimethylcyclopropane;1,2-diethyl-3-methylcyclopropane;methane

1,2-diethylcyclopropane;2,3-diethyl-1,1-dimethylcyclopropane;1,2-diethyl-3-methylcyclopropane;methane (PubChem CID 159057840) has the molecular formula C25H52 and a molecular weight of 352.69 g/mol. Its IUPAC name is 1,2-diethylcyclopropane;2,3-diethyl-1,1-dimethylcyclopropane;1,2-diethyl-3-methylcyclopropane;methane.

Molecular Properties

Compound Name1,2-diethylcyclopropane;2,3-diethyl-1,1-dimethylcyclopropane;1,2-diethyl-3-methylcyclopropane;methane
PubChem CID159057840
Molecular FormulaC25H52
Molecular Weight352.69 g/mol
Exact Mass352.41
IUPAC Name1,2-diethylcyclopropane;2,3-diethyl-1,1-dimethylcyclopropane;1,2-diethyl-3-methylcyclopropane;methane
SMILESC.CCC1C(C)C1CC.CCC1C(CC)C1(C)C.CCC1CC1CC
InChIInChI=1S/C9H18.C8H16.C7H14.CH4/c1-5-7-8(6-2)9(7,3)4;1-4-7-6(3)8(7)5-2;1-3-6-5-7(6)4-2;/h7-8H,5-6H2,1-4H3;6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;1H4
InChIKeyJYBWAUDTEXXDNO-UHFFFAOYSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.69
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-diethylcyclopropane;2,3-diethyl-1,1-dimethylcyclopropane;1,2-diethyl-3-methylcyclopropane;methane with MolForge

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Related Compounds

1,2-diethyl-3,4-dimethylcyclobutane
CID 91590074
1-ethyl-2-[2-(2-ethyl-3-methylcyclopropyl)ethyl]-3-methylcyclopropane
CID 90777753
1-ethyl-2-[2-(2-methylcyclopropyl)ethyl]cyclopropane
CID 123992340
(2S)-2-ethenyl-4,5-diethyl-1,1,3-trimethylcyclopentane
CID 163549218
1-(3-ethyl-2,2-dimethylcyclopropyl)-N-methylmethanamine
CID 123972141
2,4-diethyl-1,1-dimethylcyclobutane;methane
CID 156895183
cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
CID 59954456
1,5-diethyl-2,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162292687
3-ethyl-2,2,4,7,10-pentamethylbicyclo[3.3.2]decane
CID 123212061
1,2-diethyl-3-[1-(2-ethyl-3-methylcyclopropyl)-2-methylpropan-2-yl]cyclopropane
CID 123380149
1,3-diethyl-2-methylcyclopentane
CID 123589151
(1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane
CID 6431519

Frequently Asked Questions

What is the IUPAC name of 1,2-diethylcyclopropane;2,3-diethyl-1,1-dimethylcyclopropane;1,2-diethyl-3-methylcyclopropane;methane?
The IUPAC name of 1,2-diethylcyclopropane;2,3-diethyl-1,1-dimethylcyclopropane;1,2-diethyl-3-methylcyclopropane;methane (CID 159057840) is 1,2-diethylcyclopropane;2,3-diethyl-1,1-dimethylcyclopropane;1,2-diethyl-3-methylcyclopropane;methane.
What is the SMILES notation for 1,2-diethylcyclopropane;2,3-diethyl-1,1-dimethylcyclopropane;1,2-diethyl-3-methylcyclopropane;methane?
The canonical SMILES for 1,2-diethylcyclopropane;2,3-diethyl-1,1-dimethylcyclopropane;1,2-diethyl-3-methylcyclopropane;methane is C.CCC1C(C)C1CC.CCC1C(CC)C1(C)C.CCC1CC1CC.
What is the InChIKey of 1,2-diethylcyclopropane;2,3-diethyl-1,1-dimethylcyclopropane;1,2-diethyl-3-methylcyclopropane;methane?
The InChIKey is JYBWAUDTEXXDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C8H16.C7H14.CH4/c1-5-7-8(6-2)9(7,3)4;1-4-7-6(3)8(7)5-2;1-3-6-5-7(6)4-2;/h7-8H,5-6H2,1-4H3;6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;1H4.
What are the key properties of 1,2-diethylcyclopropane;2,3-diethyl-1,1-dimethylcyclopropane;1,2-diethyl-3-methylcyclopropane;methane?
1,2-diethylcyclopropane;2,3-diethyl-1,1-dimethylcyclopropane;1,2-diethyl-3-methylcyclopropane;methane has a molecular weight of 352.69 g/mol, XLogP of 8.85, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethylcyclopropane;2,3-diethyl-1,1-dimethylcyclopropane;1,2-diethyl-3-methylcyclopropane;methane is sourced from PubChem (CID 159057840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).