cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane

C9H18 — CID 173447814

IUPACcis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
SMILESCC[C@H]1C[C@H]1CC(C)C
InChIInChI=1S/C9H18/c1-4-8-6-9(8)5-7(2)3/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyFNUSCVRZQKZPLR-DTWKUNHWSA-N
MW126.24 g/mol
LogP3.08
Rot. Bonds3

About cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane

cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane (PubChem CID 173447814) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane.

Molecular Properties

Compound Namecis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
PubChem CID173447814
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Namecis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
SMILESCC[C@H]1C[C@H]1CC(C)C
InChIInChI=1S/C9H18/c1-4-8-6-9(8)5-7(2)3/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyFNUSCVRZQKZPLR-DTWKUNHWSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane?
The IUPAC name of cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane (CID 173447814) is cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane.
What is the SMILES notation for cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane?
The canonical SMILES for cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane is CC[C@H]1C[C@H]1CC(C)C.
What is the InChIKey of cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane?
The InChIKey is FNUSCVRZQKZPLR-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18/c1-4-8-6-9(8)5-7(2)3/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane?
cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane has a molecular weight of 126.24 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane is sourced from PubChem (CID 173447814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).