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

C8H16 — CID 102002542

IUPACtrans-(1R,2S)-1-butyl-2-methylcyclopropane
SMILESCCCC[C@@H]1C[C@@H]1C
InChIInChI=1S/C8H16/c1-3-4-5-8-6-7(8)2/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyIWTBNPKBPXCCIV-JGVFFNPUSA-N
MW112.22 g/mol
LogP2.83
Rot. Bonds3

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

trans-(1R,2S)-1-butyl-2-methylcyclopropane (PubChem CID 102002542) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is trans-(1R,2S)-1-butyl-2-methylcyclopropane.

Molecular Properties

Compound Nametrans-(1R,2S)-1-butyl-2-methylcyclopropane
PubChem CID102002542
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Nametrans-(1R,2S)-1-butyl-2-methylcyclopropane
SMILESCCCC[C@@H]1C[C@@H]1C
InChIInChI=1S/C8H16/c1-3-4-5-8-6-7(8)2/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyIWTBNPKBPXCCIV-JGVFFNPUSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
1-methyl-2-pentadecylcyclopropane
CID 54385825
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
CID 123959869
1-butyl-2-(2-methylcyclopropyl)cyclopropane
CID 123941425
bicyclo[5.1.0]octane;1-butyl-2-methylcyclopropane;bis(octane)
CID 173410079
ethane;1-methyl-2-propylcyclopropane
CID 144710386
1-butyl-2,3,4,5-tetramethylcyclohexane
CID 167492243
trans-(1R,2S)-1-methyl-2-[2-[(1R,2S)-2-methylcyclopropyl]ethyl]cyclopropane
CID 23638911
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
1-(7,7-dimethylheptadecyl)-2-methylcyclopropane
CID 123261970
cis-(1R,2S)-1-butyl-2-ethylcyclopropane
CID 6427612

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-butyl-2-methylcyclopropane?
The IUPAC name of trans-(1R,2S)-1-butyl-2-methylcyclopropane (CID 102002542) is trans-(1R,2S)-1-butyl-2-methylcyclopropane.
What is the SMILES notation for trans-(1R,2S)-1-butyl-2-methylcyclopropane?
The canonical SMILES for trans-(1R,2S)-1-butyl-2-methylcyclopropane is CCCC[C@@H]1C[C@@H]1C.
What is the InChIKey of trans-(1R,2S)-1-butyl-2-methylcyclopropane?
The InChIKey is IWTBNPKBPXCCIV-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16/c1-3-4-5-8-6-7(8)2/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of trans-(1R,2S)-1-butyl-2-methylcyclopropane?
trans-(1R,2S)-1-butyl-2-methylcyclopropane has a molecular weight of 112.22 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-butyl-2-methylcyclopropane is sourced from PubChem (CID 102002542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).