(Z)-2-(2,2-dideuterioethoxy)-5-methoxy-2,3,4,5-tetramethylhex-3-ene

C13H26O2 — CID 90276599

IUPAC(Z)-2-(2,2-dideuterioethoxy)-5-methoxy-2,3,4,5-tetramethylhex-3-ene
SMILES[2H]C([2H])COC(C)(C)/C(C)=C(/C)C(C)(C)OC
InChIInChI=1S/C13H26O2/c1-9-15-13(6,7)11(3)10(2)12(4,5)14-8/h9H2,1-8H3/b11-10-/i1D2
InChIKeyDMPCZTOKAXWBDW-OCQJGKDQSA-N
MW216.36 g/mol
LogP3.56
Rot. Bonds6

About (Z)-2-(2,2-dideuterioethoxy)-5-methoxy-2,3,4,5-tetramethylhex-3-ene

(Z)-2-(2,2-dideuterioethoxy)-5-methoxy-2,3,4,5-tetramethylhex-3-ene (PubChem CID 90276599) has the molecular formula C13H26O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is (Z)-2-(2,2-dideuterioethoxy)-5-methoxy-2,3,4,5-tetramethylhex-3-ene.

Molecular Properties

Compound Name(Z)-2-(2,2-dideuterioethoxy)-5-methoxy-2,3,4,5-tetramethylhex-3-ene
PubChem CID90276599
Molecular FormulaC13H26O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name(Z)-2-(2,2-dideuterioethoxy)-5-methoxy-2,3,4,5-tetramethylhex-3-ene
SMILES[2H]C([2H])COC(C)(C)/C(C)=C(/C)C(C)(C)OC
InChIInChI=1S/C13H26O2/c1-9-15-13(6,7)11(3)10(2)12(4,5)14-8/h9H2,1-8H3/b11-10-/i1D2
InChIKeyDMPCZTOKAXWBDW-OCQJGKDQSA-N
XLogP3.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-2-(2,2-dideuterioethoxy)-5-methoxy-2,3,4,5-tetramethylhex-3-ene?
The IUPAC name of (Z)-2-(2,2-dideuterioethoxy)-5-methoxy-2,3,4,5-tetramethylhex-3-ene (CID 90276599) is (Z)-2-(2,2-dideuterioethoxy)-5-methoxy-2,3,4,5-tetramethylhex-3-ene.
What is the SMILES notation for (Z)-2-(2,2-dideuterioethoxy)-5-methoxy-2,3,4,5-tetramethylhex-3-ene?
The canonical SMILES for (Z)-2-(2,2-dideuterioethoxy)-5-methoxy-2,3,4,5-tetramethylhex-3-ene is [2H]C([2H])COC(C)(C)/C(C)=C(/C)C(C)(C)OC.
What is the InChIKey of (Z)-2-(2,2-dideuterioethoxy)-5-methoxy-2,3,4,5-tetramethylhex-3-ene?
The InChIKey is DMPCZTOKAXWBDW-OCQJGKDQSA-N. The full InChI is InChI=1S/C13H26O2/c1-9-15-13(6,7)11(3)10(2)12(4,5)14-8/h9H2,1-8H3/b11-10-/i1D2.
What are the key properties of (Z)-2-(2,2-dideuterioethoxy)-5-methoxy-2,3,4,5-tetramethylhex-3-ene?
(Z)-2-(2,2-dideuterioethoxy)-5-methoxy-2,3,4,5-tetramethylhex-3-ene has a molecular weight of 216.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,2-dideuterioethoxy)-5-methoxy-2,3,4,5-tetramethylhex-3-ene is sourced from PubChem (CID 90276599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).