2-tert-butyl-2-deuteriocyclopropan-1-ol

C7H14O — CID 158403560

IUPAC2-tert-butyl-2-deuteriocyclopropan-1-ol
SMILES[2H]C1(C(C)(C)C)CC1O
InChIInChI=1S/C7H14O/c1-7(2,3)5-4-6(5)8/h5-6,8H,4H2,1-3H3/i5D
InChIKeyBSTIBYLXBXMLAX-UICOGKGYSA-N
MW115.19 g/mol
LogP1.41
Rot. Bonds

About 2-tert-butyl-2-deuteriocyclopropan-1-ol

2-tert-butyl-2-deuteriocyclopropan-1-ol (PubChem CID 158403560) has the molecular formula C7H14O and a molecular weight of 115.19 g/mol. Its IUPAC name is 2-tert-butyl-2-deuteriocyclopropan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-2-deuteriocyclopropan-1-ol
PubChem CID158403560
Molecular FormulaC7H14O
Molecular Weight115.19 g/mol
Exact Mass115.11
IUPAC Name2-tert-butyl-2-deuteriocyclopropan-1-ol
SMILES[2H]C1(C(C)(C)C)CC1O
InChIInChI=1S/C7H14O/c1-7(2,3)5-4-6(5)8/h5-6,8H,4H2,1-3H3/i5D
InChIKeyBSTIBYLXBXMLAX-UICOGKGYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-deuteriocyclopropan-1-ol?
The IUPAC name of 2-tert-butyl-2-deuteriocyclopropan-1-ol (CID 158403560) is 2-tert-butyl-2-deuteriocyclopropan-1-ol.
What is the SMILES notation for 2-tert-butyl-2-deuteriocyclopropan-1-ol?
The canonical SMILES for 2-tert-butyl-2-deuteriocyclopropan-1-ol is [2H]C1(C(C)(C)C)CC1O.
What is the InChIKey of 2-tert-butyl-2-deuteriocyclopropan-1-ol?
The InChIKey is BSTIBYLXBXMLAX-UICOGKGYSA-N. The full InChI is InChI=1S/C7H14O/c1-7(2,3)5-4-6(5)8/h5-6,8H,4H2,1-3H3/i5D.
What are the key properties of 2-tert-butyl-2-deuteriocyclopropan-1-ol?
2-tert-butyl-2-deuteriocyclopropan-1-ol has a molecular weight of 115.19 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-deuteriocyclopropan-1-ol is sourced from PubChem (CID 158403560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).