(Z)-4,4,4-trideuterio-3-methylbut-2-en-1-ol

C5H10O — CID 25240200

IUPAC(Z)-4,4,4-trideuterio-3-methylbut-2-en-1-ol
SMILES[2H]C([2H])([2H])/C(C)=C\CO
InChIInChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3/i1D3/b5-3+
InChIKeyASUAYTHWZCLXAN-ZFBBTTEKSA-N
MW89.15 g/mol
LogP0.94
Rot. Bonds2

About (Z)-4,4,4-trideuterio-3-methylbut-2-en-1-ol

(Z)-4,4,4-trideuterio-3-methylbut-2-en-1-ol (PubChem CID 25240200) has the molecular formula C5H10O and a molecular weight of 89.15 g/mol. Its IUPAC name is (Z)-4,4,4-trideuterio-3-methylbut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4,4,4-trideuterio-3-methylbut-2-en-1-ol
PubChem CID25240200
Molecular FormulaC5H10O
Molecular Weight89.15 g/mol
Exact Mass89.09
IUPAC Name(Z)-4,4,4-trideuterio-3-methylbut-2-en-1-ol
SMILES[2H]C([2H])([2H])/C(C)=C\CO
InChIInChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3/i1D3/b5-3+
InChIKeyASUAYTHWZCLXAN-ZFBBTTEKSA-N
XLogP0.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.15
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4,4,4-trideuterio-3-methylbut-2-en-1-ol?
The IUPAC name of (Z)-4,4,4-trideuterio-3-methylbut-2-en-1-ol (CID 25240200) is (Z)-4,4,4-trideuterio-3-methylbut-2-en-1-ol.
What is the SMILES notation for (Z)-4,4,4-trideuterio-3-methylbut-2-en-1-ol?
The canonical SMILES for (Z)-4,4,4-trideuterio-3-methylbut-2-en-1-ol is [2H]C([2H])([2H])/C(C)=C\CO.
What is the InChIKey of (Z)-4,4,4-trideuterio-3-methylbut-2-en-1-ol?
The InChIKey is ASUAYTHWZCLXAN-ZFBBTTEKSA-N. The full InChI is InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3/i1D3/b5-3+.
What are the key properties of (Z)-4,4,4-trideuterio-3-methylbut-2-en-1-ol?
(Z)-4,4,4-trideuterio-3-methylbut-2-en-1-ol has a molecular weight of 89.15 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,4-trideuterio-3-methylbut-2-en-1-ol is sourced from PubChem (CID 25240200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).