cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane

C7H14 — CID 59954456

IUPACcis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
SMILESCCC1[C@@H](C)[C@H]1C
InChIInChI=1S/C7H14/c1-4-7-5(2)6(7)3/h5-7H,4H2,1-3H3/t5-,6+,7?
InChIKeyVRJOYUQFEXXSBK-MEKDEQNOSA-N
MW98.19 g/mol
LogP2.30
Rot. Bonds1

About cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane

cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane (PubChem CID 59954456) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane.

Molecular Properties

Compound Namecis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
PubChem CID59954456
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Namecis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
SMILESCCC1[C@@H](C)[C@H]1C
InChIInChI=1S/C7H14/c1-4-7-5(2)6(7)3/h5-7H,4H2,1-3H3/t5-,6+,7?
InChIKeyVRJOYUQFEXXSBK-MEKDEQNOSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane
CID 143806596
1,2-diethyl-3,4-dimethylcyclobutane
CID 91590074
1-chloro-2-ethyl-3,4-dimethylcyclobutane
CID 174674861
1-ethyl-2-[2-(2-ethyl-3-methylcyclopropyl)ethyl]-3-methylcyclopropane
CID 90777753
4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane
CID 123596860
3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane
CID 123396298
5-ethyl-6-methylbicyclo[2.1.1]hexane
CID 123324829
propane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)
CID 162289417
1,2,3,4-tetramethyl-5-propylcyclopentane
CID 23231337
4,5-diethyl-3,6-dimethylcyclohexene
CID 59982962
1,2,3-trimethyl-4-propylcyclobutane
CID 90876457
(3R,5R,6S)-2-ethyl-3,5,6-trimethylbicyclo[2.2.1]heptane
CID 159924784

Frequently Asked Questions

What is the IUPAC name of cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane?
The IUPAC name of cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane (CID 59954456) is cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane.
What is the SMILES notation for cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane?
The canonical SMILES for cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane is CCC1[C@@H](C)[C@H]1C.
What is the InChIKey of cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane?
The InChIKey is VRJOYUQFEXXSBK-MEKDEQNOSA-N. The full InChI is InChI=1S/C7H14/c1-4-7-5(2)6(7)3/h5-7H,4H2,1-3H3/t5-,6+,7?.
What are the key properties of cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane?
cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane has a molecular weight of 98.19 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane is sourced from PubChem (CID 59954456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).