(1S)-1-butyl-1,2,2-trimethylcyclopropane

C10H20 — CID 58332335

IUPAC(1S)-1-butyl-1,2,2-trimethylcyclopropane
SMILESCCCC[C@@]1(C)CC1(C)C
InChIInChI=1S/C10H20/c1-5-6-7-10(4)8-9(10,2)3/h5-8H2,1-4H3/t10-/m0/s1
InChIKeyJVBAOVFXCWHKKQ-JTQLQIEISA-N
MW140.27 g/mol
LogP3.61
Rot. Bonds3

About (1S)-1-butyl-1,2,2-trimethylcyclopropane

(1S)-1-butyl-1,2,2-trimethylcyclopropane (PubChem CID 58332335) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is (1S)-1-butyl-1,2,2-trimethylcyclopropane.

Molecular Properties

Compound Name(1S)-1-butyl-1,2,2-trimethylcyclopropane
PubChem CID58332335
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name(1S)-1-butyl-1,2,2-trimethylcyclopropane
SMILESCCCC[C@@]1(C)CC1(C)C
InChIInChI=1S/C10H20/c1-5-6-7-10(4)8-9(10,2)3/h5-8H2,1-4H3/t10-/m0/s1
InChIKeyJVBAOVFXCWHKKQ-JTQLQIEISA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-butyl-1,2,2-trimethylcyclopropane?
The IUPAC name of (1S)-1-butyl-1,2,2-trimethylcyclopropane (CID 58332335) is (1S)-1-butyl-1,2,2-trimethylcyclopropane.
What is the SMILES notation for (1S)-1-butyl-1,2,2-trimethylcyclopropane?
The canonical SMILES for (1S)-1-butyl-1,2,2-trimethylcyclopropane is CCCC[C@@]1(C)CC1(C)C.
What is the InChIKey of (1S)-1-butyl-1,2,2-trimethylcyclopropane?
The InChIKey is JVBAOVFXCWHKKQ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20/c1-5-6-7-10(4)8-9(10,2)3/h5-8H2,1-4H3/t10-/m0/s1.
What are the key properties of (1S)-1-butyl-1,2,2-trimethylcyclopropane?
(1S)-1-butyl-1,2,2-trimethylcyclopropane has a molecular weight of 140.27 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-butyl-1,2,2-trimethylcyclopropane is sourced from PubChem (CID 58332335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).