1-[3,3-bis(trideuteriomethyl)oxiran-2-yl]-2-methylprop-2-en-1-ol

C8H14O2 — CID 10796903

IUPAC1-[3,3-bis(trideuteriomethyl)oxiran-2-yl]-2-methylprop-2-en-1-ol
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])OC1C(O)C(=C)C
InChIInChI=1S/C8H14O2/c1-5(2)6(9)7-8(3,4)10-7/h6-7,9H,1H2,2-4H3/i3D3,4D3
InChIKeyJZWIDSCLUBBBPK-LIJFRPJRSA-N
MW148.23 g/mol
LogP1.10
Rot. Bonds4

About 1-[3,3-bis(trideuteriomethyl)oxiran-2-yl]-2-methylprop-2-en-1-ol

1-[3,3-bis(trideuteriomethyl)oxiran-2-yl]-2-methylprop-2-en-1-ol (PubChem CID 10796903) has the molecular formula C8H14O2 and a molecular weight of 148.23 g/mol. Its IUPAC name is 1-[3,3-bis(trideuteriomethyl)oxiran-2-yl]-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-[3,3-bis(trideuteriomethyl)oxiran-2-yl]-2-methylprop-2-en-1-ol
PubChem CID10796903
Molecular FormulaC8H14O2
Molecular Weight148.23 g/mol
Exact Mass148.14
IUPAC Name1-[3,3-bis(trideuteriomethyl)oxiran-2-yl]-2-methylprop-2-en-1-ol
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])OC1C(O)C(=C)C
InChIInChI=1S/C8H14O2/c1-5(2)6(9)7-8(3,4)10-7/h6-7,9H,1H2,2-4H3/i3D3,4D3
InChIKeyJZWIDSCLUBBBPK-LIJFRPJRSA-N
XLogP1.10
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3,3-bis(trideuteriomethyl)oxiran-2-yl]-2-methylprop-2-en-1-ol?
The IUPAC name of 1-[3,3-bis(trideuteriomethyl)oxiran-2-yl]-2-methylprop-2-en-1-ol (CID 10796903) is 1-[3,3-bis(trideuteriomethyl)oxiran-2-yl]-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-[3,3-bis(trideuteriomethyl)oxiran-2-yl]-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-[3,3-bis(trideuteriomethyl)oxiran-2-yl]-2-methylprop-2-en-1-ol is [2H]C([2H])([2H])C1(C([2H])([2H])[2H])OC1C(O)C(=C)C.
What is the InChIKey of 1-[3,3-bis(trideuteriomethyl)oxiran-2-yl]-2-methylprop-2-en-1-ol?
The InChIKey is JZWIDSCLUBBBPK-LIJFRPJRSA-N. The full InChI is InChI=1S/C8H14O2/c1-5(2)6(9)7-8(3,4)10-7/h6-7,9H,1H2,2-4H3/i3D3,4D3.
What are the key properties of 1-[3,3-bis(trideuteriomethyl)oxiran-2-yl]-2-methylprop-2-en-1-ol?
1-[3,3-bis(trideuteriomethyl)oxiran-2-yl]-2-methylprop-2-en-1-ol has a molecular weight of 148.23 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-bis(trideuteriomethyl)oxiran-2-yl]-2-methylprop-2-en-1-ol is sourced from PubChem (CID 10796903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).