(2S)-3,3-dideuterio-4-methylpentan-2-ol

C6H14O — CID 176842427

IUPAC(2S)-3,3-dideuterio-4-methylpentan-2-ol
SMILES[2H]C([2H])(C(C)C)[C@H](C)O
InChIInChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m0/s1/i4D2
InChIKeyWVYWICLMDOOCFB-JRHBLRTESA-N
MW104.19 g/mol
LogP1.41
Rot. Bonds2

About (2S)-3,3-dideuterio-4-methylpentan-2-ol

(2S)-3,3-dideuterio-4-methylpentan-2-ol (PubChem CID 176842427) has the molecular formula C6H14O and a molecular weight of 104.19 g/mol. Its IUPAC name is (2S)-3,3-dideuterio-4-methylpentan-2-ol.

Molecular Properties

Compound Name(2S)-3,3-dideuterio-4-methylpentan-2-ol
PubChem CID176842427
Molecular FormulaC6H14O
Molecular Weight104.19 g/mol
Exact Mass104.12
IUPAC Name(2S)-3,3-dideuterio-4-methylpentan-2-ol
SMILES[2H]C([2H])(C(C)C)[C@H](C)O
InChIInChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m0/s1/i4D2
InChIKeyWVYWICLMDOOCFB-JRHBLRTESA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-3,3-dideuterio-4-methylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-3-deuteriobutan-2-ol
CID 25240108
4-methylpentan-2-ol;titanium
CID 158071265
4-methylpentan-2-ol;zinc
CID 158419154
methane;(2R)-4-methylpentan-2-ol
CID 159585988
propane-1,2-diol
CID 23506506
2-deuterio-3-hydroxybutanal
CID 175692104
ethane;5-methylhexan-2-ol
CID 144624886
2-amino-2,3,3-trideuterio-4-methylpentanoate
CID 101079856
10-methylundecane-2,6-diol
CID 88681561
hydroxylamine;propan-2-ol
CID 22024851
aluminum butan-2-ol
CID 23623700
hydroxylamine;2-methylbutane
CID 175063986

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dideuterio-4-methylpentan-2-ol?
The IUPAC name of (2S)-3,3-dideuterio-4-methylpentan-2-ol (CID 176842427) is (2S)-3,3-dideuterio-4-methylpentan-2-ol.
What is the SMILES notation for (2S)-3,3-dideuterio-4-methylpentan-2-ol?
The canonical SMILES for (2S)-3,3-dideuterio-4-methylpentan-2-ol is [2H]C([2H])(C(C)C)[C@H](C)O.
What is the InChIKey of (2S)-3,3-dideuterio-4-methylpentan-2-ol?
The InChIKey is WVYWICLMDOOCFB-JRHBLRTESA-N. The full InChI is InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m0/s1/i4D2.
What are the key properties of (2S)-3,3-dideuterio-4-methylpentan-2-ol?
(2S)-3,3-dideuterio-4-methylpentan-2-ol has a molecular weight of 104.19 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dideuterio-4-methylpentan-2-ol is sourced from PubChem (CID 176842427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).