1,2,3-trimethylcyclopropane

C6H12 — CID 521226

IUPAC1,2,3-trimethylcyclopropane
SMILESCC1C(C)C1C
InChIInChI=1S/C6H12/c1-4-5(2)6(4)3/h4-6H,1-3H3
InChIKeyPSGQRAAEZLHVDT-UHFFFAOYSA-N
MW84.16 g/mol
LogP1.91
Rot. Bonds

About 1,2,3-trimethylcyclopropane

1,2,3-trimethylcyclopropane (PubChem CID 521226) has the molecular formula C6H12 and a molecular weight of 84.16 g/mol. Its IUPAC name is 1,2,3-trimethylcyclopropane.

Molecular Properties

Compound Name1,2,3-trimethylcyclopropane
PubChem CID521226
Molecular FormulaC6H12
Molecular Weight84.16 g/mol
Exact Mass84.09
IUPAC Name1,2,3-trimethylcyclopropane
SMILESCC1C(C)C1C
InChIInChI=1S/C6H12/c1-4-5(2)6(4)3/h4-6H,1-3H3
InChIKeyPSGQRAAEZLHVDT-UHFFFAOYSA-N
XLogP1.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.16
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethylcyclopropane?
The IUPAC name of 1,2,3-trimethylcyclopropane (CID 521226) is 1,2,3-trimethylcyclopropane.
What is the SMILES notation for 1,2,3-trimethylcyclopropane?
The canonical SMILES for 1,2,3-trimethylcyclopropane is CC1C(C)C1C.
What is the InChIKey of 1,2,3-trimethylcyclopropane?
The InChIKey is PSGQRAAEZLHVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12/c1-4-5(2)6(4)3/h4-6H,1-3H3.
What are the key properties of 1,2,3-trimethylcyclopropane?
1,2,3-trimethylcyclopropane has a molecular weight of 84.16 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethylcyclopropane is sourced from PubChem (CID 521226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).