1,1,1,3,3-pentadeuterio-2,4,4-trimethylpentan-2-ol

C8H18O — CID 162034514

IUPAC1,1,1,3,3-pentadeuterio-2,4,4-trimethylpentan-2-ol
SMILES[2H]C([2H])([2H])C(C)(O)C([2H])([2H])C(C)(C)C
InChIInChI=1S/C8H18O/c1-7(2,3)6-8(4,5)9/h9H,6H2,1-5H3/i4D3,6D2
InChIKeyBSYJHYLAMMJNRC-NSMKSNBVSA-N
MW135.26 g/mol
LogP2.19
Rot. Bonds2

About 1,1,1,3,3-pentadeuterio-2,4,4-trimethylpentan-2-ol

1,1,1,3,3-pentadeuterio-2,4,4-trimethylpentan-2-ol (PubChem CID 162034514) has the molecular formula C8H18O and a molecular weight of 135.26 g/mol. Its IUPAC name is 1,1,1,3,3-pentadeuterio-2,4,4-trimethylpentan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3-pentadeuterio-2,4,4-trimethylpentan-2-ol
PubChem CID162034514
Molecular FormulaC8H18O
Molecular Weight135.26 g/mol
Exact Mass135.17
IUPAC Name1,1,1,3,3-pentadeuterio-2,4,4-trimethylpentan-2-ol
SMILES[2H]C([2H])([2H])C(C)(O)C([2H])([2H])C(C)(C)C
InChIInChI=1S/C8H18O/c1-7(2,3)6-8(4,5)9/h9H,6H2,1-5H3/i4D3,6D2
InChIKeyBSYJHYLAMMJNRC-NSMKSNBVSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1,3,3,4,4,6,6,6-decadeuterio-2,5-dimethyl-2,5-bis(trideuteriomethyl)hexane
CID 176822398
3-deuterio-2,2-dimethylbutane
CID 164727472
phosphoric acid;tris(2,4,4-trimethylpentan-2-ol)
CID 71361678
alumane;2,4-dimethylpentane-2,4-diol
CID 175404238
1,1,1,3,3-pentadeuterio-3-deuteriooxy-2-methylpropan-2-amine
CID 131698431
sodium;hydride;bis(2-methylbutan-2-ol)
CID 174951100
methanamine;2-methylbutan-2-ol
CID 142079467
1-chloro-2-methylpropan-2-ol;vanadium
CID 158704639
1-deuterio-2,3-dimethylbutane-2,3-diol
CID 175701581
2,14-dimethylpentadecane-2,8,14-triol
CID 88582277
2,4,4-trimethyl-2-(trideuteriomethyl)pentanoic acid
CID 118042012
(2R)-1-amino-2,3-dimethylbutan-2-ol
CID 51684116

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentadeuterio-2,4,4-trimethylpentan-2-ol?
The IUPAC name of 1,1,1,3,3-pentadeuterio-2,4,4-trimethylpentan-2-ol (CID 162034514) is 1,1,1,3,3-pentadeuterio-2,4,4-trimethylpentan-2-ol.
What is the SMILES notation for 1,1,1,3,3-pentadeuterio-2,4,4-trimethylpentan-2-ol?
The canonical SMILES for 1,1,1,3,3-pentadeuterio-2,4,4-trimethylpentan-2-ol is [2H]C([2H])([2H])C(C)(O)C([2H])([2H])C(C)(C)C.
What is the InChIKey of 1,1,1,3,3-pentadeuterio-2,4,4-trimethylpentan-2-ol?
The InChIKey is BSYJHYLAMMJNRC-NSMKSNBVSA-N. The full InChI is InChI=1S/C8H18O/c1-7(2,3)6-8(4,5)9/h9H,6H2,1-5H3/i4D3,6D2.
What are the key properties of 1,1,1,3,3-pentadeuterio-2,4,4-trimethylpentan-2-ol?
1,1,1,3,3-pentadeuterio-2,4,4-trimethylpentan-2-ol has a molecular weight of 135.26 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentadeuterio-2,4,4-trimethylpentan-2-ol is sourced from PubChem (CID 162034514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).