1-tert-butyl-1-deuteriocyclopropane

C7H14 — CID 12714131

IUPAC1-tert-butyl-1-deuteriocyclopropane
SMILES[2H]C1(C(C)(C)C)CC1
InChIInChI=1S/C7H14/c1-7(2,3)6-4-5-6/h6H,4-5H2,1-3H3/i6D
InChIKeyCJKIVLPJDVFXJP-RAMDWTOOSA-N
MW99.20 g/mol
LogP2.44
Rot. Bonds

About 1-tert-butyl-1-deuteriocyclopropane

1-tert-butyl-1-deuteriocyclopropane (PubChem CID 12714131) has the molecular formula C7H14 and a molecular weight of 99.20 g/mol. Its IUPAC name is 1-tert-butyl-1-deuteriocyclopropane.

Molecular Properties

Compound Name1-tert-butyl-1-deuteriocyclopropane
PubChem CID12714131
Molecular FormulaC7H14
Molecular Weight99.20 g/mol
Exact Mass99.12
IUPAC Name1-tert-butyl-1-deuteriocyclopropane
SMILES[2H]C1(C(C)(C)C)CC1
InChIInChI=1S/C7H14/c1-7(2,3)6-4-5-6/h6H,4-5H2,1-3H3/i6D
InChIKeyCJKIVLPJDVFXJP-RAMDWTOOSA-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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Related Compounds

1-tert-butyl-1-deuteriocyclopentane
CID 140770712
4-tert-butyl-1,1-dimethylpiperidin-1-ium iodide
CID 71352793
tert-butylcyclopentadecane
CID 164774831
1,4-ditert-butylcycloheptane
CID 58579546
1,3-ditert-butylcyclopentane;ethane
CID 161179598
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol
CID 171582108
2,2-dimethylpropane;methane;methylcyclopropane
CID 161488522
1,4-ditert-butylcyclohexane;bis(1,4-dimethylcyclohexane)
CID 158485591
5-tert-butylbicyclo[2.1.1]hexane
CID 140587712
9-tert-butylbicyclo[3.3.1]nonane
CID 59813982
4-tert-butyl-1-(trideuteriomethyl)piperidine
CID 176754624

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-deuteriocyclopropane?
The IUPAC name of 1-tert-butyl-1-deuteriocyclopropane (CID 12714131) is 1-tert-butyl-1-deuteriocyclopropane.
What is the SMILES notation for 1-tert-butyl-1-deuteriocyclopropane?
The canonical SMILES for 1-tert-butyl-1-deuteriocyclopropane is [2H]C1(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-1-deuteriocyclopropane?
The InChIKey is CJKIVLPJDVFXJP-RAMDWTOOSA-N. The full InChI is InChI=1S/C7H14/c1-7(2,3)6-4-5-6/h6H,4-5H2,1-3H3/i6D.
What are the key properties of 1-tert-butyl-1-deuteriocyclopropane?
1-tert-butyl-1-deuteriocyclopropane 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 1-tert-butyl-1-deuteriocyclopropane is sourced from PubChem (CID 12714131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).