3-deuterio-1,1,2,2-tetramethylcyclopropane

C7H14 — CID 175977132

IUPAC3-deuterio-1,1,2,2-tetramethylcyclopropane
SMILES[2H]C1C(C)(C)C1(C)C
InChIInChI=1S/C7H14/c1-6(2)5-7(6,3)4/h5H2,1-4H3/i5D
InChIKeyJCHUCGKEGUAHEH-UICOGKGYSA-N
MW99.20 g/mol
LogP2.44
Rot. Bonds

About 3-deuterio-1,1,2,2-tetramethylcyclopropane

3-deuterio-1,1,2,2-tetramethylcyclopropane (PubChem CID 175977132) has the molecular formula C7H14 and a molecular weight of 99.20 g/mol. Its IUPAC name is 3-deuterio-1,1,2,2-tetramethylcyclopropane.

Molecular Properties

Compound Name3-deuterio-1,1,2,2-tetramethylcyclopropane
PubChem CID175977132
Molecular FormulaC7H14
Molecular Weight99.20 g/mol
Exact Mass99.12
IUPAC Name3-deuterio-1,1,2,2-tetramethylcyclopropane
SMILES[2H]C1C(C)(C)C1(C)C
InChIInChI=1S/C7H14/c1-6(2)5-7(6,3)4/h5H2,1-4H3/i5D
InChIKeyJCHUCGKEGUAHEH-UICOGKGYSA-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 ≤ 50099.20
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-deuterio-1,1,2,2-tetramethylcyclopropane?
The IUPAC name of 3-deuterio-1,1,2,2-tetramethylcyclopropane (CID 175977132) is 3-deuterio-1,1,2,2-tetramethylcyclopropane.
What is the SMILES notation for 3-deuterio-1,1,2,2-tetramethylcyclopropane?
The canonical SMILES for 3-deuterio-1,1,2,2-tetramethylcyclopropane is [2H]C1C(C)(C)C1(C)C.
What is the InChIKey of 3-deuterio-1,1,2,2-tetramethylcyclopropane?
The InChIKey is JCHUCGKEGUAHEH-UICOGKGYSA-N. The full InChI is InChI=1S/C7H14/c1-6(2)5-7(6,3)4/h5H2,1-4H3/i5D.
What are the key properties of 3-deuterio-1,1,2,2-tetramethylcyclopropane?
3-deuterio-1,1,2,2-tetramethylcyclopropane has a molecular weight of 99.20 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 3-deuterio-1,1,2,2-tetramethylcyclopropane is sourced from PubChem (CID 175977132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).