1,2,3-trimethylcyclobutane

C7H14 — CID 18730041

IUPAC1,2,3-trimethylcyclobutane
SMILESCC1CC(C)C1C
InChIInChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3
InChIKeyAQIWLDRDUSDLFJ-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.30
Rot. Bonds

About 1,2,3-trimethylcyclobutane

1,2,3-trimethylcyclobutane (PubChem CID 18730041) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is 1,2,3-trimethylcyclobutane.

Molecular Properties

Compound Name1,2,3-trimethylcyclobutane
PubChem CID18730041
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Name1,2,3-trimethylcyclobutane
SMILESCC1CC(C)C1C
InChIInChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3
InChIKeyAQIWLDRDUSDLFJ-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethylcyclobutane?
The IUPAC name of 1,2,3-trimethylcyclobutane (CID 18730041) is 1,2,3-trimethylcyclobutane.
What is the SMILES notation for 1,2,3-trimethylcyclobutane?
The canonical SMILES for 1,2,3-trimethylcyclobutane is CC1CC(C)C1C.
What is the InChIKey of 1,2,3-trimethylcyclobutane?
The InChIKey is AQIWLDRDUSDLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3.
What are the key properties of 1,2,3-trimethylcyclobutane?
1,2,3-trimethylcyclobutane has a molecular weight of 98.19 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethylcyclobutane is sourced from PubChem (CID 18730041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).