cis-(1R,2R)-1-butyl-2-methylcyclopropane

C8H16 — CID 6432402

IUPACcis-(1R,2R)-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-/m1/s1
InChIKeyIWTBNPKBPXCCIV-HTQZYQBOSA-N
MW112.22 g/mol
LogP2.83
Rot. Bonds3

About cis-(1R,2R)-1-butyl-2-methylcyclopropane

cis-(1R,2R)-1-butyl-2-methylcyclopropane (PubChem CID 6432402) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is cis-(1R,2R)-1-butyl-2-methylcyclopropane.

Molecular Properties

Compound Namecis-(1R,2R)-1-butyl-2-methylcyclopropane
PubChem CID6432402
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Namecis-(1R,2R)-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-/m1/s1
InChIKeyIWTBNPKBPXCCIV-HTQZYQBOSA-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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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-butyl-2-methylcyclopropane?
The IUPAC name of cis-(1R,2R)-1-butyl-2-methylcyclopropane (CID 6432402) is cis-(1R,2R)-1-butyl-2-methylcyclopropane.
What is the SMILES notation for cis-(1R,2R)-1-butyl-2-methylcyclopropane?
The canonical SMILES for cis-(1R,2R)-1-butyl-2-methylcyclopropane is CCCC[C@@H]1C[C@H]1C.
What is the InChIKey of cis-(1R,2R)-1-butyl-2-methylcyclopropane?
The InChIKey is IWTBNPKBPXCCIV-HTQZYQBOSA-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-/m1/s1.
What are the key properties of cis-(1R,2R)-1-butyl-2-methylcyclopropane?
cis-(1R,2R)-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 cis-(1R,2R)-1-butyl-2-methylcyclopropane is sourced from PubChem (CID 6432402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).