2-deuteriopropan-2-ylcyclopropane

C6H12 — CID 164822454

IUPAC2-deuteriopropan-2-ylcyclopropane
SMILES[2H]C(C)(C)C1CC1
InChIInChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3/i5D
InChIKeyHPBROFGYTXOJIO-UICOGKGYSA-N
MW85.17 g/mol
LogP2.05
Rot. Bonds1

About 2-deuteriopropan-2-ylcyclopropane

2-deuteriopropan-2-ylcyclopropane (PubChem CID 164822454) has the molecular formula C6H12 and a molecular weight of 85.17 g/mol. Its IUPAC name is 2-deuteriopropan-2-ylcyclopropane.

Molecular Properties

Compound Name2-deuteriopropan-2-ylcyclopropane
PubChem CID164822454
Molecular FormulaC6H12
Molecular Weight85.17 g/mol
Exact Mass85.10
IUPAC Name2-deuteriopropan-2-ylcyclopropane
SMILES[2H]C(C)(C)C1CC1
InChIInChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3/i5D
InChIKeyHPBROFGYTXOJIO-UICOGKGYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.17
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-deuteriopropan-2-ylcyclohexane
CID 153320252
propan-2-ylcyclopropane;hydroiodide
CID 162314014
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane
CID 123821196
1-cyclopropylethanamine
CID 519239
1-fluoroethylcyclopropane
CID 22262429
1-(1-cyclopropylethoxy)ethylcyclopropane
CID 23618436
(1R)-1-cyclopentyl-1-deuterioethanol
CID 157323248
1-cyclopropylethylcyclopentane
CID 147777183
2-[(1S)-1-cyclopropylethoxy]acetic acid
CID 86330953
cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317
[(1R)-1-cyclopropylethyl] formate
CID 143509718

Frequently Asked Questions

What is the IUPAC name of 2-deuteriopropan-2-ylcyclopropane?
The IUPAC name of 2-deuteriopropan-2-ylcyclopropane (CID 164822454) is 2-deuteriopropan-2-ylcyclopropane.
What is the SMILES notation for 2-deuteriopropan-2-ylcyclopropane?
The canonical SMILES for 2-deuteriopropan-2-ylcyclopropane is [2H]C(C)(C)C1CC1.
What is the InChIKey of 2-deuteriopropan-2-ylcyclopropane?
The InChIKey is HPBROFGYTXOJIO-UICOGKGYSA-N. The full InChI is InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3/i5D.
What are the key properties of 2-deuteriopropan-2-ylcyclopropane?
2-deuteriopropan-2-ylcyclopropane has a molecular weight of 85.17 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuteriopropan-2-ylcyclopropane is sourced from PubChem (CID 164822454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).