2-(7-deuteriodispiro[2.0.24.13]heptan-7-yl)ethanol

C9H14O — CID 139389211

IUPAC2-(7-deuteriodispiro[2.0.24.13]heptan-7-yl)ethanol
SMILES[2H]C1(CCO)C2(CC2)C12CC2
InChIInChI=1S/C9H14O/c10-6-1-7-8(2-3-8)9(7)4-5-9/h7,10H,1-6H2/i7D
InChIKeyCMIVBAWGGHMXKJ-WHRKIXHSSA-N
MW139.22 g/mol
LogP1.56
Rot. Bonds2

About 2-(7-deuteriodispiro[2.0.24.13]heptan-7-yl)ethanol

2-(7-deuteriodispiro[2.0.24.13]heptan-7-yl)ethanol (PubChem CID 139389211) has the molecular formula C9H14O and a molecular weight of 139.22 g/mol. Its IUPAC name is 2-(7-deuteriodispiro[2.0.24.13]heptan-7-yl)ethanol.

Molecular Properties

Compound Name2-(7-deuteriodispiro[2.0.24.13]heptan-7-yl)ethanol
PubChem CID139389211
Molecular FormulaC9H14O
Molecular Weight139.22 g/mol
Exact Mass139.11
IUPAC Name2-(7-deuteriodispiro[2.0.24.13]heptan-7-yl)ethanol
SMILES[2H]C1(CCO)C2(CC2)C12CC2
InChIInChI=1S/C9H14O/c10-6-1-7-8(2-3-8)9(7)4-5-9/h7,10H,1-6H2/i7D
InChIKeyCMIVBAWGGHMXKJ-WHRKIXHSSA-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 ≤ 500139.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-deuteriodispiro[2.0.24.13]heptan-7-yl)ethanol?
The IUPAC name of 2-(7-deuteriodispiro[2.0.24.13]heptan-7-yl)ethanol (CID 139389211) is 2-(7-deuteriodispiro[2.0.24.13]heptan-7-yl)ethanol.
What is the SMILES notation for 2-(7-deuteriodispiro[2.0.24.13]heptan-7-yl)ethanol?
The canonical SMILES for 2-(7-deuteriodispiro[2.0.24.13]heptan-7-yl)ethanol is [2H]C1(CCO)C2(CC2)C12CC2.
What is the InChIKey of 2-(7-deuteriodispiro[2.0.24.13]heptan-7-yl)ethanol?
The InChIKey is CMIVBAWGGHMXKJ-WHRKIXHSSA-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/i7D.
What are the key properties of 2-(7-deuteriodispiro[2.0.24.13]heptan-7-yl)ethanol?
2-(7-deuteriodispiro[2.0.24.13]heptan-7-yl)ethanol has a molecular weight of 139.22 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 2-(7-deuteriodispiro[2.0.24.13]heptan-7-yl)ethanol is sourced from PubChem (CID 139389211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).