1-butyl-1,2-diethylcyclopropane

C11H22 — CID 11815966

IUPAC1-butyl-1,2-diethylcyclopropane
SMILESCCCCC1(CC)CC1CC
InChIInChI=1S/C11H22/c1-4-7-8-11(6-3)9-10(11)5-2/h10H,4-9H2,1-3H3
InChIKeyOZSBHQBEMYEBLD-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.00
Rot. Bonds5

About 1-butyl-1,2-diethylcyclopropane

1-butyl-1,2-diethylcyclopropane (PubChem CID 11815966) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1-butyl-1,2-diethylcyclopropane.

Molecular Properties

Compound Name1-butyl-1,2-diethylcyclopropane
PubChem CID11815966
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1-butyl-1,2-diethylcyclopropane
SMILESCCCCC1(CC)CC1CC
InChIInChI=1S/C11H22/c1-4-7-8-11(6-3)9-10(11)5-2/h10H,4-9H2,1-3H3
InChIKeyOZSBHQBEMYEBLD-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.00
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-diethylcyclopropane?
The IUPAC name of 1-butyl-1,2-diethylcyclopropane (CID 11815966) is 1-butyl-1,2-diethylcyclopropane.
What is the SMILES notation for 1-butyl-1,2-diethylcyclopropane?
The canonical SMILES for 1-butyl-1,2-diethylcyclopropane is CCCCC1(CC)CC1CC.
What is the InChIKey of 1-butyl-1,2-diethylcyclopropane?
The InChIKey is OZSBHQBEMYEBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-4-7-8-11(6-3)9-10(11)5-2/h10H,4-9H2,1-3H3.
What are the key properties of 1-butyl-1,2-diethylcyclopropane?
1-butyl-1,2-diethylcyclopropane has a molecular weight of 154.30 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1,2-diethylcyclopropane is sourced from PubChem (CID 11815966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).