1,1,2-trimethylcyclobutane

C7H14 — CID 15643399

IUPAC1,1,2-trimethylcyclobutane
SMILESCC1CCC1(C)C
InChIInChI=1S/C7H14/c1-6-4-5-7(6,2)3/h6H,4-5H2,1-3H3
InChIKeyWKCRXXSHXACCJV-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.44
Rot. Bonds

About 1,1,2-trimethylcyclobutane

1,1,2-trimethylcyclobutane (PubChem CID 15643399) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is 1,1,2-trimethylcyclobutane.

Molecular Properties

Compound Name1,1,2-trimethylcyclobutane
PubChem CID15643399
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Name1,1,2-trimethylcyclobutane
SMILESCC1CCC1(C)C
InChIInChI=1S/C7H14/c1-6-4-5-7(6,2)3/h6H,4-5H2,1-3H3
InChIKeyWKCRXXSHXACCJV-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethylcyclobutane?
The IUPAC name of 1,1,2-trimethylcyclobutane (CID 15643399) is 1,1,2-trimethylcyclobutane.
What is the SMILES notation for 1,1,2-trimethylcyclobutane?
The canonical SMILES for 1,1,2-trimethylcyclobutane is CC1CCC1(C)C.
What is the InChIKey of 1,1,2-trimethylcyclobutane?
The InChIKey is WKCRXXSHXACCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14/c1-6-4-5-7(6,2)3/h6H,4-5H2,1-3H3.
What are the key properties of 1,1,2-trimethylcyclobutane?
1,1,2-trimethylcyclobutane has a molecular weight of 98.19 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethylcyclobutane is sourced from PubChem (CID 15643399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).