(2R)-2,5,6-trideuteriohexan-1-ol

C6H14O — CID 46844235

IUPAC(2R)-2,5,6-trideuteriohexan-1-ol
SMILES[2H]CC([2H])CC[C@@H]([2H])CO
InChIInChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3/i1D,2D,5D/t2?,5-/m1/s1
InChIKeyZSIAUFGUXNUGDI-DBSIKJIBSA-N
MW105.20 g/mol
LogP1.56
Rot. Bonds5

About (2R)-2,5,6-trideuteriohexan-1-ol

(2R)-2,5,6-trideuteriohexan-1-ol (PubChem CID 46844235) has the molecular formula C6H14O and a molecular weight of 105.20 g/mol. Its IUPAC name is (2R)-2,5,6-trideuteriohexan-1-ol.

Molecular Properties

Compound Name(2R)-2,5,6-trideuteriohexan-1-ol
PubChem CID46844235
Molecular FormulaC6H14O
Molecular Weight105.20 g/mol
Exact Mass105.12
IUPAC Name(2R)-2,5,6-trideuteriohexan-1-ol
SMILES[2H]CC([2H])CC[C@@H]([2H])CO
InChIInChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3/i1D,2D,5D/t2?,5-/m1/s1
InChIKeyZSIAUFGUXNUGDI-DBSIKJIBSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-deuteriobutane-1,4-diol
CID 25240091
5-deuteriopentan-1-ol
CID 58290914
3,3-dideuteriopentan-1-ol
CID 23271014
sodium butan-1-ol
CID 19366054
2,4-dideuteriononane
CID 172688950
10,10,10-trideuteriodecan-1-ol
CID 132935619
1,1,2,2,3,3,4,4,5-nonadeuteriohexadecan-1-ol
CID 173037672
tris(butan-1-ol);titanium;bromide
CID 20523364
1,1,2,2,3-pentadeuteriobutan-1-ol
CID 140879138
1,1-dideuterio(113C)hexane-1,6-diol
CID 87228884
2-deuterio-4-diphenylphosphorylbutan-1-ol
CID 11460046
sodium 2-deuterioethanolate
CID 175317884

Frequently Asked Questions

What is the IUPAC name of (2R)-2,5,6-trideuteriohexan-1-ol?
The IUPAC name of (2R)-2,5,6-trideuteriohexan-1-ol (CID 46844235) is (2R)-2,5,6-trideuteriohexan-1-ol.
What is the SMILES notation for (2R)-2,5,6-trideuteriohexan-1-ol?
The canonical SMILES for (2R)-2,5,6-trideuteriohexan-1-ol is [2H]CC([2H])CC[C@@H]([2H])CO.
What is the InChIKey of (2R)-2,5,6-trideuteriohexan-1-ol?
The InChIKey is ZSIAUFGUXNUGDI-DBSIKJIBSA-N. The full InChI is InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3/i1D,2D,5D/t2?,5-/m1/s1.
What are the key properties of (2R)-2,5,6-trideuteriohexan-1-ol?
(2R)-2,5,6-trideuteriohexan-1-ol has a molecular weight of 105.20 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5,6-trideuteriohexan-1-ol is sourced from PubChem (CID 46844235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).