1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol

C8H16O3 — CID 169284168

IUPAC1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
SMILES[2H]C([2H])(O)C(C)OC1CCCCO1
InChIInChI=1S/C8H16O3/c1-7(6-9)11-8-4-2-3-5-10-8/h7-9H,2-6H2,1H3/i6D2
InChIKeyMKWQCXIXWYWZBA-NCYHJHSESA-N
MW162.23 g/mol
LogP0.91
Rot. Bonds3

About 1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol

1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol (PubChem CID 169284168) has the molecular formula C8H16O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol.

Molecular Properties

Compound Name1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
PubChem CID169284168
Molecular FormulaC8H16O3
Molecular Weight162.23 g/mol
Exact Mass162.12
IUPAC Name1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
SMILES[2H]C([2H])(O)C(C)OC1CCCCO1
InChIInChI=1S/C8H16O3/c1-7(6-9)11-8-4-2-3-5-10-8/h7-9H,2-6H2,1H3/i6D2
InChIKeyMKWQCXIXWYWZBA-NCYHJHSESA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
2-butan-2-yloxyoxane
CID 559028
2-(oxan-2-yloxy)propylhydrazine
CID 175028715
3-(oxan-2-yloxy)butanoic acid
CID 14279636
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
(2S,3S)-2-methyl-3-(oxan-2-yloxy)butane-1,4-diol
CID 54016843
2-[(2S)-5-chloropentan-2-yl]oxyoxane
CID 10750818
9-(oxan-2-yloxy)dec-2-yn-1-ol
CID 86095981
2-[(2S)-6-iodohexan-2-yl]oxyoxane
CID 11659617
methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate
CID 11746035
(2S)-2-(oxan-2-yloxy)pentan-3-ol
CID 89265028
(2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane
CID 98010095

Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol?
The IUPAC name of 1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol (CID 169284168) is 1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol.
What is the SMILES notation for 1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol?
The canonical SMILES for 1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol is [2H]C([2H])(O)C(C)OC1CCCCO1.
What is the InChIKey of 1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol?
The InChIKey is MKWQCXIXWYWZBA-NCYHJHSESA-N. The full InChI is InChI=1S/C8H16O3/c1-7(6-9)11-8-4-2-3-5-10-8/h7-9H,2-6H2,1H3/i6D2.
What are the key properties of 1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol?
1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol has a molecular weight of 162.23 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol is sourced from PubChem (CID 169284168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).