1,1,3-triethyl-3-methylcyclobutane

C11H22 — CID 123991500

IUPAC1,1,3-triethyl-3-methylcyclobutane
SMILESCCC1(C)CC(CC)(CC)C1
InChIInChI=1S/C11H22/c1-5-10(4)8-11(6-2,7-3)9-10/h5-9H2,1-4H3
InChIKeyFJARVFATSDQQGW-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.00
Rot. Bonds3

About 1,1,3-triethyl-3-methylcyclobutane

1,1,3-triethyl-3-methylcyclobutane (PubChem CID 123991500) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1,1,3-triethyl-3-methylcyclobutane.

Molecular Properties

Compound Name1,1,3-triethyl-3-methylcyclobutane
PubChem CID123991500
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1,1,3-triethyl-3-methylcyclobutane
SMILESCCC1(C)CC(CC)(CC)C1
InChIInChI=1S/C11H22/c1-5-10(4)8-11(6-2,7-3)9-10/h5-9H2,1-4H3
InChIKeyFJARVFATSDQQGW-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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 1,1,3-triethyl-3-methylcyclobutane?
The IUPAC name of 1,1,3-triethyl-3-methylcyclobutane (CID 123991500) is 1,1,3-triethyl-3-methylcyclobutane.
What is the SMILES notation for 1,1,3-triethyl-3-methylcyclobutane?
The canonical SMILES for 1,1,3-triethyl-3-methylcyclobutane is CCC1(C)CC(CC)(CC)C1.
What is the InChIKey of 1,1,3-triethyl-3-methylcyclobutane?
The InChIKey is FJARVFATSDQQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-5-10(4)8-11(6-2,7-3)9-10/h5-9H2,1-4H3.
What are the key properties of 1,1,3-triethyl-3-methylcyclobutane?
1,1,3-triethyl-3-methylcyclobutane has a molecular weight of 154.30 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-triethyl-3-methylcyclobutane is sourced from PubChem (CID 123991500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).