(7-deuteriodispiro[2.0.24.13]heptan-7-yl)methanol

C8H12O — CID 139389359

IUPAC(7-deuteriodispiro[2.0.24.13]heptan-7-yl)methanol
SMILES[2H]C1(CO)C2(CC2)C12CC2
InChIInChI=1S/C8H12O/c9-5-6-7(1-2-7)8(6)3-4-8/h6,9H,1-5H2/i6D
InChIKeyURYINZIMUWFPJK-RAMDWTOOSA-N
MW125.19 g/mol
LogP1.17
Rot. Bonds1

About (7-deuteriodispiro[2.0.24.13]heptan-7-yl)methanol

(7-deuteriodispiro[2.0.24.13]heptan-7-yl)methanol (PubChem CID 139389359) has the molecular formula C8H12O and a molecular weight of 125.19 g/mol. Its IUPAC name is (7-deuteriodispiro[2.0.24.13]heptan-7-yl)methanol.

Molecular Properties

Compound Name(7-deuteriodispiro[2.0.24.13]heptan-7-yl)methanol
PubChem CID139389359
Molecular FormulaC8H12O
Molecular Weight125.19 g/mol
Exact Mass125.10
IUPAC Name(7-deuteriodispiro[2.0.24.13]heptan-7-yl)methanol
SMILES[2H]C1(CO)C2(CC2)C12CC2
InChIInChI=1S/C8H12O/c9-5-6-7(1-2-7)8(6)3-4-8/h6,9H,1-5H2/i6D
InChIKeyURYINZIMUWFPJK-RAMDWTOOSA-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 ≤ 500125.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7-deuteriodispiro[2.0.24.13]heptan-7-yl)methanol?
The IUPAC name of (7-deuteriodispiro[2.0.24.13]heptan-7-yl)methanol (CID 139389359) is (7-deuteriodispiro[2.0.24.13]heptan-7-yl)methanol.
What is the SMILES notation for (7-deuteriodispiro[2.0.24.13]heptan-7-yl)methanol?
The canonical SMILES for (7-deuteriodispiro[2.0.24.13]heptan-7-yl)methanol is [2H]C1(CO)C2(CC2)C12CC2.
What is the InChIKey of (7-deuteriodispiro[2.0.24.13]heptan-7-yl)methanol?
The InChIKey is URYINZIMUWFPJK-RAMDWTOOSA-N. The full InChI is InChI=1S/C8H12O/c9-5-6-7(1-2-7)8(6)3-4-8/h6,9H,1-5H2/i6D.
What are the key properties of (7-deuteriodispiro[2.0.24.13]heptan-7-yl)methanol?
(7-deuteriodispiro[2.0.24.13]heptan-7-yl)methanol has a molecular weight of 125.19 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 (7-deuteriodispiro[2.0.24.13]heptan-7-yl)methanol is sourced from PubChem (CID 139389359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).