1,2-diethyl-3-[1-(2-ethyl-3-methylcyclopropyl)-2-methylpropan-2-yl]cyclopropane

C17H32 — CID 123380149

IUPAC1,2-diethyl-3-[1-(2-ethyl-3-methylcyclopropyl)-2-methylpropan-2-yl]cyclopropane
SMILESCCC1C(C)C1CC(C)(C)C1C(CC)C1CC
InChIInChI=1S/C17H32/c1-7-12-11(4)15(12)10-17(5,6)16-13(8-2)14(16)9-3/h11-16H,7-10H2,1-6H3
InChIKeyVOVZBDFBUTUZOB-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.38
Rot. Bonds6

About 1,2-diethyl-3-[1-(2-ethyl-3-methylcyclopropyl)-2-methylpropan-2-yl]cyclopropane

1,2-diethyl-3-[1-(2-ethyl-3-methylcyclopropyl)-2-methylpropan-2-yl]cyclopropane (PubChem CID 123380149) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 1,2-diethyl-3-[1-(2-ethyl-3-methylcyclopropyl)-2-methylpropan-2-yl]cyclopropane.

Molecular Properties

Compound Name1,2-diethyl-3-[1-(2-ethyl-3-methylcyclopropyl)-2-methylpropan-2-yl]cyclopropane
PubChem CID123380149
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name1,2-diethyl-3-[1-(2-ethyl-3-methylcyclopropyl)-2-methylpropan-2-yl]cyclopropane
SMILESCCC1C(C)C1CC(C)(C)C1C(CC)C1CC
InChIInChI=1S/C17H32/c1-7-12-11(4)15(12)10-17(5,6)16-13(8-2)14(16)9-3/h11-16H,7-10H2,1-6H3
InChIKeyVOVZBDFBUTUZOB-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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-methyl-3-(2,2,3-trimethylpent-4-enyl)cyclopropane
CID 123752649
cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
CID 59954456
2-ethyl-1,3-dimethyl-4-(2-methylbutan-2-yl)cyclopentane
CID 123981733
2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane
CID 145352950
(5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane
CID 143806596
2-(2-ethyl-3-methylcyclopropyl)ethanol
CID 91526803
1,2,4-triethyl-3-methyl-5-propan-2-ylcyclopentane
CID 123693329
2-ethyl-1-methyl-3-[2-methyl-1-(2-methyl-4-propan-2-ylcyclobutyl)propan-2-yl]cyclobutane
CID 123987093
1,2-diethylcyclopropane;2,3-diethyl-1,1-dimethylcyclopropane;1,2-diethyl-3-methylcyclopropane;methane
CID 159057840
(3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane
CID 159924784

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3-[1-(2-ethyl-3-methylcyclopropyl)-2-methylpropan-2-yl]cyclopropane?
The IUPAC name of 1,2-diethyl-3-[1-(2-ethyl-3-methylcyclopropyl)-2-methylpropan-2-yl]cyclopropane (CID 123380149) is 1,2-diethyl-3-[1-(2-ethyl-3-methylcyclopropyl)-2-methylpropan-2-yl]cyclopropane.
What is the SMILES notation for 1,2-diethyl-3-[1-(2-ethyl-3-methylcyclopropyl)-2-methylpropan-2-yl]cyclopropane?
The canonical SMILES for 1,2-diethyl-3-[1-(2-ethyl-3-methylcyclopropyl)-2-methylpropan-2-yl]cyclopropane is CCC1C(C)C1CC(C)(C)C1C(CC)C1CC.
What is the InChIKey of 1,2-diethyl-3-[1-(2-ethyl-3-methylcyclopropyl)-2-methylpropan-2-yl]cyclopropane?
The InChIKey is VOVZBDFBUTUZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-7-12-11(4)15(12)10-17(5,6)16-13(8-2)14(16)9-3/h11-16H,7-10H2,1-6H3.
What are the key properties of 1,2-diethyl-3-[1-(2-ethyl-3-methylcyclopropyl)-2-methylpropan-2-yl]cyclopropane?
1,2-diethyl-3-[1-(2-ethyl-3-methylcyclopropyl)-2-methylpropan-2-yl]cyclopropane has a molecular weight of 236.44 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3-[1-(2-ethyl-3-methylcyclopropyl)-2-methylpropan-2-yl]cyclopropane is sourced from PubChem (CID 123380149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).