trans-(1S,2R)-1-ethyl-2-methylcyclopropane

C6H12 — CID 640655

IUPACtrans-(1S,2R)-1-ethyl-2-methylcyclopropane
SMILESCC[C@H]1C[C@H]1C
InChIInChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeySAHWBARCQUAFSM-RITPCOANSA-N
MW84.16 g/mol
LogP2.05
Rot. Bonds1

About trans-(1S,2R)-1-ethyl-2-methylcyclopropane

trans-(1S,2R)-1-ethyl-2-methylcyclopropane (PubChem CID 640655) has the molecular formula C6H12 and a molecular weight of 84.16 g/mol. Its IUPAC name is trans-(1S,2R)-1-ethyl-2-methylcyclopropane.

Molecular Properties

Compound Nametrans-(1S,2R)-1-ethyl-2-methylcyclopropane
PubChem CID640655
Molecular FormulaC6H12
Molecular Weight84.16 g/mol
Exact Mass84.09
IUPAC Nametrans-(1S,2R)-1-ethyl-2-methylcyclopropane
SMILESCC[C@H]1C[C@H]1C
InChIInChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeySAHWBARCQUAFSM-RITPCOANSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.16
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-ethyl-2-methylcyclopropane?
The IUPAC name of trans-(1S,2R)-1-ethyl-2-methylcyclopropane (CID 640655) is trans-(1S,2R)-1-ethyl-2-methylcyclopropane.
What is the SMILES notation for trans-(1S,2R)-1-ethyl-2-methylcyclopropane?
The canonical SMILES for trans-(1S,2R)-1-ethyl-2-methylcyclopropane is CC[C@H]1C[C@H]1C.
What is the InChIKey of trans-(1S,2R)-1-ethyl-2-methylcyclopropane?
The InChIKey is SAHWBARCQUAFSM-RITPCOANSA-N. The full InChI is InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of trans-(1S,2R)-1-ethyl-2-methylcyclopropane?
trans-(1S,2R)-1-ethyl-2-methylcyclopropane has a molecular weight of 84.16 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-ethyl-2-methylcyclopropane is sourced from PubChem (CID 640655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).