1-butyl-1,2,2-trimethylcyclopropane

C10H20 — CID 76763378

IUPAC1-butyl-1,2,2-trimethylcyclopropane
SMILESCCCCC1(C)CC1(C)C
InChIInChI=1S/C10H20/c1-5-6-7-10(4)8-9(10,2)3/h5-8H2,1-4H3
InChIKeyJVBAOVFXCWHKKQ-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.61
Rot. Bonds3

About 1-butyl-1,2,2-trimethylcyclopropane

1-butyl-1,2,2-trimethylcyclopropane (PubChem CID 76763378) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 1-butyl-1,2,2-trimethylcyclopropane.

Molecular Properties

Compound Name1-butyl-1,2,2-trimethylcyclopropane
PubChem CID76763378
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name1-butyl-1,2,2-trimethylcyclopropane
SMILESCCCCC1(C)CC1(C)C
InChIInChI=1S/C10H20/c1-5-6-7-10(4)8-9(10,2)3/h5-8H2,1-4H3
InChIKeyJVBAOVFXCWHKKQ-UHFFFAOYSA-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 1-butyl-1,2,2-trimethylcyclopropane?
The IUPAC name of 1-butyl-1,2,2-trimethylcyclopropane (CID 76763378) is 1-butyl-1,2,2-trimethylcyclopropane.
What is the SMILES notation for 1-butyl-1,2,2-trimethylcyclopropane?
The canonical SMILES for 1-butyl-1,2,2-trimethylcyclopropane is CCCCC1(C)CC1(C)C.
What is the InChIKey of 1-butyl-1,2,2-trimethylcyclopropane?
The InChIKey is JVBAOVFXCWHKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-5-6-7-10(4)8-9(10,2)3/h5-8H2,1-4H3.
What are the key properties of 1-butyl-1,2,2-trimethylcyclopropane?
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 1-butyl-1,2,2-trimethylcyclopropane is sourced from PubChem (CID 76763378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).