dideuterio(dispiro[2.0.24.13]heptan-7-yl)methanol

C8H12O — CID 139389310

IUPACdideuterio(dispiro[2.0.24.13]heptan-7-yl)methanol
SMILES[2H]C([2H])(O)C1C2(CC2)C12CC2
InChIInChI=1S/C8H12O/c9-5-6-7(1-2-7)8(6)3-4-8/h6,9H,1-5H2/i5D2
InChIKeyURYINZIMUWFPJK-BFWBPSQCSA-N
MW126.20 g/mol
LogP1.17
Rot. Bonds1

About dideuterio(dispiro[2.0.24.13]heptan-7-yl)methanol

dideuterio(dispiro[2.0.24.13]heptan-7-yl)methanol (PubChem CID 139389310) has the molecular formula C8H12O and a molecular weight of 126.20 g/mol. Its IUPAC name is dideuterio(dispiro[2.0.24.13]heptan-7-yl)methanol.

Molecular Properties

Compound Namedideuterio(dispiro[2.0.24.13]heptan-7-yl)methanol
PubChem CID139389310
Molecular FormulaC8H12O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Namedideuterio(dispiro[2.0.24.13]heptan-7-yl)methanol
SMILES[2H]C([2H])(O)C1C2(CC2)C12CC2
InChIInChI=1S/C8H12O/c9-5-6-7(1-2-7)8(6)3-4-8/h6,9H,1-5H2/i5D2
InChIKeyURYINZIMUWFPJK-BFWBPSQCSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dideuterio(dispiro[2.0.24.13]heptan-7-yl)methanol?
The IUPAC name of dideuterio(dispiro[2.0.24.13]heptan-7-yl)methanol (CID 139389310) is dideuterio(dispiro[2.0.24.13]heptan-7-yl)methanol.
What is the SMILES notation for dideuterio(dispiro[2.0.24.13]heptan-7-yl)methanol?
The canonical SMILES for dideuterio(dispiro[2.0.24.13]heptan-7-yl)methanol is [2H]C([2H])(O)C1C2(CC2)C12CC2.
What is the InChIKey of dideuterio(dispiro[2.0.24.13]heptan-7-yl)methanol?
The InChIKey is URYINZIMUWFPJK-BFWBPSQCSA-N. The full InChI is InChI=1S/C8H12O/c9-5-6-7(1-2-7)8(6)3-4-8/h6,9H,1-5H2/i5D2.
What are the key properties of dideuterio(dispiro[2.0.24.13]heptan-7-yl)methanol?
dideuterio(dispiro[2.0.24.13]heptan-7-yl)methanol has a molecular weight of 126.20 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio(dispiro[2.0.24.13]heptan-7-yl)methanol is sourced from PubChem (CID 139389310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).