(Z)-5,6,7,7-tetradeuterio-1,1-di(propan-2-yloxy)non-3-ene

C15H30O2 — CID 10922846

IUPAC(Z)-5,6,7,7-tetradeuterio-1,1-di(propan-2-yloxy)non-3-ene
SMILES[2H]C(/C=C\CC(OC(C)C)OC(C)C)C([2H])C([2H])([2H])CC
InChIInChI=1S/C15H30O2/c1-6-7-8-9-10-11-12-15(16-13(2)3)17-14(4)5/h10-11,13-15H,6-9,12H2,1-5H3/b11-10-/i7D2,8D,9D
InChIKeyZPIYBVWXLBVMMZ-KRKWALOMSA-N
MW246.43 g/mol
LogP4.69
Rot. Bonds10

About (Z)-5,6,7,7-tetradeuterio-1,1-di(propan-2-yloxy)non-3-ene

(Z)-5,6,7,7-tetradeuterio-1,1-di(propan-2-yloxy)non-3-ene (PubChem CID 10922846) has the molecular formula C15H30O2 and a molecular weight of 246.43 g/mol. Its IUPAC name is (Z)-5,6,7,7-tetradeuterio-1,1-di(propan-2-yloxy)non-3-ene.

Molecular Properties

Compound Name(Z)-5,6,7,7-tetradeuterio-1,1-di(propan-2-yloxy)non-3-ene
PubChem CID10922846
Molecular FormulaC15H30O2
Molecular Weight246.43 g/mol
Exact Mass246.25
IUPAC Name(Z)-5,6,7,7-tetradeuterio-1,1-di(propan-2-yloxy)non-3-ene
SMILES[2H]C(/C=C\CC(OC(C)C)OC(C)C)C([2H])C([2H])([2H])CC
InChIInChI=1S/C15H30O2/c1-6-7-8-9-10-11-12-15(16-13(2)3)17-14(4)5/h10-11,13-15H,6-9,12H2,1-5H3/b11-10-/i7D2,8D,9D
InChIKeyZPIYBVWXLBVMMZ-KRKWALOMSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5,6,7,7-tetradeuterio-1,1-di(propan-2-yloxy)non-3-ene?
The IUPAC name of (Z)-5,6,7,7-tetradeuterio-1,1-di(propan-2-yloxy)non-3-ene (CID 10922846) is (Z)-5,6,7,7-tetradeuterio-1,1-di(propan-2-yloxy)non-3-ene.
What is the SMILES notation for (Z)-5,6,7,7-tetradeuterio-1,1-di(propan-2-yloxy)non-3-ene?
The canonical SMILES for (Z)-5,6,7,7-tetradeuterio-1,1-di(propan-2-yloxy)non-3-ene is [2H]C(/C=C\CC(OC(C)C)OC(C)C)C([2H])C([2H])([2H])CC.
What is the InChIKey of (Z)-5,6,7,7-tetradeuterio-1,1-di(propan-2-yloxy)non-3-ene?
The InChIKey is ZPIYBVWXLBVMMZ-KRKWALOMSA-N. The full InChI is InChI=1S/C15H30O2/c1-6-7-8-9-10-11-12-15(16-13(2)3)17-14(4)5/h10-11,13-15H,6-9,12H2,1-5H3/b11-10-/i7D2,8D,9D.
What are the key properties of (Z)-5,6,7,7-tetradeuterio-1,1-di(propan-2-yloxy)non-3-ene?
(Z)-5,6,7,7-tetradeuterio-1,1-di(propan-2-yloxy)non-3-ene has a molecular weight of 246.43 g/mol, XLogP of 4.69, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,6,7,7-tetradeuterio-1,1-di(propan-2-yloxy)non-3-ene is sourced from PubChem (CID 10922846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).