cis-(1R,2S)-1-butyl-2-ethylcyclopropane

C9H18 — CID 6427612

IUPACcis-(1R,2S)-1-butyl-2-ethylcyclopropane
SMILESCCCC[C@@H]1C[C@@H]1CC
InChIInChI=1S/C9H18/c1-3-5-6-9-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyRNEGJSGKJQQNEI-DTWKUNHWSA-N
MW126.24 g/mol
LogP3.22
Rot. Bonds4

About cis-(1R,2S)-1-butyl-2-ethylcyclopropane

cis-(1R,2S)-1-butyl-2-ethylcyclopropane (PubChem CID 6427612) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is cis-(1R,2S)-1-butyl-2-ethylcyclopropane.

Molecular Properties

Compound Namecis-(1R,2S)-1-butyl-2-ethylcyclopropane
PubChem CID6427612
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Namecis-(1R,2S)-1-butyl-2-ethylcyclopropane
SMILESCCCC[C@@H]1C[C@@H]1CC
InChIInChI=1S/C9H18/c1-3-5-6-9-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyRNEGJSGKJQQNEI-DTWKUNHWSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Methyldecane
CID 23415
2-Methyloctane
CID 18591
2-Methylundecane
CID 23459
Farnesane
CID 19773
4-Methyldecane
CID 17835
3-Methyldecane
CID 92239
2-Methylnonane
CID 13379
3,6-Dimethyloctane
CID 85927
2,6-Dimethyloctane
CID 16319
2,4-Dimethylheptane
CID 16656
4-Methyloctane
CID 16665
3-Methylnonane
CID 22202

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-butyl-2-ethylcyclopropane?
The IUPAC name of cis-(1R,2S)-1-butyl-2-ethylcyclopropane (CID 6427612) is cis-(1R,2S)-1-butyl-2-ethylcyclopropane.
What is the SMILES notation for cis-(1R,2S)-1-butyl-2-ethylcyclopropane?
The canonical SMILES for cis-(1R,2S)-1-butyl-2-ethylcyclopropane is CCCC[C@@H]1C[C@@H]1CC.
What is the InChIKey of cis-(1R,2S)-1-butyl-2-ethylcyclopropane?
The InChIKey is RNEGJSGKJQQNEI-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18/c1-3-5-6-9-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of cis-(1R,2S)-1-butyl-2-ethylcyclopropane?
cis-(1R,2S)-1-butyl-2-ethylcyclopropane has a molecular weight of 126.24 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-butyl-2-ethylcyclopropane is sourced from PubChem (CID 6427612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).