1,1,2,2-tetradeuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol

C9H14O — CID 139389270

IUPAC1,1,2,2-tetradeuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol
SMILES[2H]C([2H])(O)C([2H])([2H])C1C2(CC2)C12CC2
InChIInChI=1S/C9H14O/c10-6-1-7-8(2-3-8)9(7)4-5-9/h7,10H,1-6H2/i1D2,6D2
InChIKeyCMIVBAWGGHMXKJ-SHWBANDHSA-N
MW142.23 g/mol
LogP1.56
Rot. Bonds2

About 1,1,2,2-tetradeuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol

1,1,2,2-tetradeuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol (PubChem CID 139389270) has the molecular formula C9H14O and a molecular weight of 142.23 g/mol. Its IUPAC name is 1,1,2,2-tetradeuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol.

Molecular Properties

Compound Name1,1,2,2-tetradeuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol
PubChem CID139389270
Molecular FormulaC9H14O
Molecular Weight142.23 g/mol
Exact Mass142.13
IUPAC Name1,1,2,2-tetradeuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol
SMILES[2H]C([2H])(O)C([2H])([2H])C1C2(CC2)C12CC2
InChIInChI=1S/C9H14O/c10-6-1-7-8(2-3-8)9(7)4-5-9/h7,10H,1-6H2/i1D2,6D2
InChIKeyCMIVBAWGGHMXKJ-SHWBANDHSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetradeuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol?
The IUPAC name of 1,1,2,2-tetradeuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol (CID 139389270) is 1,1,2,2-tetradeuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol.
What is the SMILES notation for 1,1,2,2-tetradeuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol?
The canonical SMILES for 1,1,2,2-tetradeuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol is [2H]C([2H])(O)C([2H])([2H])C1C2(CC2)C12CC2.
What is the InChIKey of 1,1,2,2-tetradeuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol?
The InChIKey is CMIVBAWGGHMXKJ-SHWBANDHSA-N. The full InChI is InChI=1S/C9H14O/c10-6-1-7-8(2-3-8)9(7)4-5-9/h7,10H,1-6H2/i1D2,6D2.
What are the key properties of 1,1,2,2-tetradeuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol?
1,1,2,2-tetradeuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol has a molecular weight of 142.23 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetradeuterio-2-dispiro[2.0.24.13]heptan-7-ylethanol is sourced from PubChem (CID 139389270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).