1,1,2-trideuteriooct-1-en-3-ol

C8H16O — CID 171391312

IUPAC1,1,2-trideuteriooct-1-en-3-ol
SMILES[2H]C([2H])=C([2H])C(O)CCCCC
InChIInChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/i2D2,4D
InChIKeyVSMOENVRRABVKN-OVLJBECYSA-N
MW131.23 g/mol
LogP2.11
Rot. Bonds5

About 1,1,2-trideuteriooct-1-en-3-ol

1,1,2-trideuteriooct-1-en-3-ol (PubChem CID 171391312) has the molecular formula C8H16O and a molecular weight of 131.23 g/mol. Its IUPAC name is 1,1,2-trideuteriooct-1-en-3-ol.

Molecular Properties

Compound Name1,1,2-trideuteriooct-1-en-3-ol
PubChem CID171391312
Molecular FormulaC8H16O
Molecular Weight131.23 g/mol
Exact Mass131.14
IUPAC Name1,1,2-trideuteriooct-1-en-3-ol
SMILES[2H]C([2H])=C([2H])C(O)CCCCC
InChIInChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/i2D2,4D
InChIKeyVSMOENVRRABVKN-OVLJBECYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

undec-1-en-3-ol
CID 3015762
(3R)-dec-1-en-3-ol
CID 12619485
heptadec-1-en-3-ol
CID 11858939
(E,3S)-1-deuterio-1-trimethylsilyloct-1-en-3-ol
CID 11084880
(4R)-dodec-1-en-4-ol
CID 11074077
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
(7R)-hexatriacontan-7-ol
CID 88529159
tetratetracontan-22-ol
CID 91434437
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trideuteriooct-1-en-3-ol?
The IUPAC name of 1,1,2-trideuteriooct-1-en-3-ol (CID 171391312) is 1,1,2-trideuteriooct-1-en-3-ol.
What is the SMILES notation for 1,1,2-trideuteriooct-1-en-3-ol?
The canonical SMILES for 1,1,2-trideuteriooct-1-en-3-ol is [2H]C([2H])=C([2H])C(O)CCCCC.
What is the InChIKey of 1,1,2-trideuteriooct-1-en-3-ol?
The InChIKey is VSMOENVRRABVKN-OVLJBECYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/i2D2,4D.
What are the key properties of 1,1,2-trideuteriooct-1-en-3-ol?
1,1,2-trideuteriooct-1-en-3-ol has a molecular weight of 131.23 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trideuteriooct-1-en-3-ol is sourced from PubChem (CID 171391312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).