2,8-dideuterio-1-oxaspiro[4.4]nonane

C8H14O — CID 151578390

IUPAC2,8-dideuterio-1-oxaspiro[4.4]nonane
SMILES[2H]C1CCC2(CCC([2H])O2)C1
InChIInChI=1S/C8H14O/c1-2-5-8(4-1)6-3-7-9-8/h1-7H2/i1D,7D
InChIKeyQFYIUUDHEXYHRJ-COMABECVSA-N
MW128.21 g/mol
LogP2.11
Rot. Bonds

About 2,8-dideuterio-1-oxaspiro[4.4]nonane

2,8-dideuterio-1-oxaspiro[4.4]nonane (PubChem CID 151578390) has the molecular formula C8H14O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2,8-dideuterio-1-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name2,8-dideuterio-1-oxaspiro[4.4]nonane
PubChem CID151578390
Molecular FormulaC8H14O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2,8-dideuterio-1-oxaspiro[4.4]nonane
SMILES[2H]C1CCC2(CCC([2H])O2)C1
InChIInChI=1S/C8H14O/c1-2-5-8(4-1)6-3-7-9-8/h1-7H2/i1D,7D
InChIKeyQFYIUUDHEXYHRJ-COMABECVSA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Oxaspiro(4.5)decane
CID 301168
Furan, 2-butyltetrahydro-2-methyl-
CID 10877221
1-Oxaspiro[4.4]nonane
CID 12630234
Oxabicyclopentane
CID 21071687
3-Fluoro-1-oxaspiro[4.4]nonane
CID 156730672
2,2-Dibutyl-tetrahydro-furan
CID 11735569
2-Butyl-2-methyl tetrahydrofuran
CID 12570319
2-(Cyclopentylmethyl)oxolane
CID 14389092
4-Methyl-1-oxaspiro[4.4]nonane
CID 101047494
(2R)-2-methyl-2-octyloxolane
CID 138962700
1-Oxaspiro[4.11]hexadecane
CID 86183579
2-Hexyl-2-methyloxolane
CID 10964962

Frequently Asked Questions

What is the IUPAC name of 2,8-dideuterio-1-oxaspiro[4.4]nonane?
The IUPAC name of 2,8-dideuterio-1-oxaspiro[4.4]nonane (CID 151578390) is 2,8-dideuterio-1-oxaspiro[4.4]nonane.
What is the SMILES notation for 2,8-dideuterio-1-oxaspiro[4.4]nonane?
The canonical SMILES for 2,8-dideuterio-1-oxaspiro[4.4]nonane is [2H]C1CCC2(CCC([2H])O2)C1.
What is the InChIKey of 2,8-dideuterio-1-oxaspiro[4.4]nonane?
The InChIKey is QFYIUUDHEXYHRJ-COMABECVSA-N. The full InChI is InChI=1S/C8H14O/c1-2-5-8(4-1)6-3-7-9-8/h1-7H2/i1D,7D.
What are the key properties of 2,8-dideuterio-1-oxaspiro[4.4]nonane?
2,8-dideuterio-1-oxaspiro[4.4]nonane has a molecular weight of 128.21 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dideuterio-1-oxaspiro[4.4]nonane is sourced from PubChem (CID 151578390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).