(Z)-2,3,4,5-tetramethyl-2-(1,1,1,2-tetradeuteriopropan-2-yloxy)-5-(trideuteriomethoxy)hex-3-ene

C14H28O2 — CID 90276646

IUPAC(Z)-2,3,4,5-tetramethyl-2-(1,1,1,2-tetradeuteriopropan-2-yloxy)-5-(trideuteriomethoxy)hex-3-ene
SMILES[2H]C([2H])([2H])OC(C)(C)/C(C)=C(/C)C(C)(C)OC([2H])(C)C([2H])([2H])[2H]
InChIInChI=1S/C14H28O2/c1-10(2)16-14(7,8)12(4)11(3)13(5,6)15-9/h10H,1-9H3/b12-11-/i1D3,9D3,10D
InChIKeyNUGWXAHVXVVJAQ-LCIZPYHRSA-N
MW235.42 g/mol
LogP3.95
Rot. Bonds7

About (Z)-2,3,4,5-tetramethyl-2-(1,1,1,2-tetradeuteriopropan-2-yloxy)-5-(trideuteriomethoxy)hex-3-ene

(Z)-2,3,4,5-tetramethyl-2-(1,1,1,2-tetradeuteriopropan-2-yloxy)-5-(trideuteriomethoxy)hex-3-ene (PubChem CID 90276646) has the molecular formula C14H28O2 and a molecular weight of 235.42 g/mol. Its IUPAC name is (Z)-2,3,4,5-tetramethyl-2-(1,1,1,2-tetradeuteriopropan-2-yloxy)-5-(trideuteriomethoxy)hex-3-ene.

Molecular Properties

Compound Name(Z)-2,3,4,5-tetramethyl-2-(1,1,1,2-tetradeuteriopropan-2-yloxy)-5-(trideuteriomethoxy)hex-3-ene
PubChem CID90276646
Molecular FormulaC14H28O2
Molecular Weight235.42 g/mol
Exact Mass235.25
IUPAC Name(Z)-2,3,4,5-tetramethyl-2-(1,1,1,2-tetradeuteriopropan-2-yloxy)-5-(trideuteriomethoxy)hex-3-ene
SMILES[2H]C([2H])([2H])OC(C)(C)/C(C)=C(/C)C(C)(C)OC([2H])(C)C([2H])([2H])[2H]
InChIInChI=1S/C14H28O2/c1-10(2)16-14(7,8)12(4)11(3)13(5,6)15-9/h10H,1-9H3/b12-11-/i1D3,9D3,10D
InChIKeyNUGWXAHVXVVJAQ-LCIZPYHRSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.42
LogP ≤ 53.95
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)-2,3,4,5-tetramethyl-2-(1,1,1,2-tetradeuteriopropan-2-yloxy)-5-(trideuteriomethoxy)hex-3-ene?
The IUPAC name of (Z)-2,3,4,5-tetramethyl-2-(1,1,1,2-tetradeuteriopropan-2-yloxy)-5-(trideuteriomethoxy)hex-3-ene (CID 90276646) is (Z)-2,3,4,5-tetramethyl-2-(1,1,1,2-tetradeuteriopropan-2-yloxy)-5-(trideuteriomethoxy)hex-3-ene.
What is the SMILES notation for (Z)-2,3,4,5-tetramethyl-2-(1,1,1,2-tetradeuteriopropan-2-yloxy)-5-(trideuteriomethoxy)hex-3-ene?
The canonical SMILES for (Z)-2,3,4,5-tetramethyl-2-(1,1,1,2-tetradeuteriopropan-2-yloxy)-5-(trideuteriomethoxy)hex-3-ene is [2H]C([2H])([2H])OC(C)(C)/C(C)=C(/C)C(C)(C)OC([2H])(C)C([2H])([2H])[2H].
What is the InChIKey of (Z)-2,3,4,5-tetramethyl-2-(1,1,1,2-tetradeuteriopropan-2-yloxy)-5-(trideuteriomethoxy)hex-3-ene?
The InChIKey is NUGWXAHVXVVJAQ-LCIZPYHRSA-N. The full InChI is InChI=1S/C14H28O2/c1-10(2)16-14(7,8)12(4)11(3)13(5,6)15-9/h10H,1-9H3/b12-11-/i1D3,9D3,10D.
What are the key properties of (Z)-2,3,4,5-tetramethyl-2-(1,1,1,2-tetradeuteriopropan-2-yloxy)-5-(trideuteriomethoxy)hex-3-ene?
(Z)-2,3,4,5-tetramethyl-2-(1,1,1,2-tetradeuteriopropan-2-yloxy)-5-(trideuteriomethoxy)hex-3-ene has a molecular weight of 235.42 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3,4,5-tetramethyl-2-(1,1,1,2-tetradeuteriopropan-2-yloxy)-5-(trideuteriomethoxy)hex-3-ene is sourced from PubChem (CID 90276646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).