5,5-dideuterio-7-(methoxymethoxy)undec-1-ene

C13H26O2 — CID 15262319

IUPAC5,5-dideuterio-7-(methoxymethoxy)undec-1-ene
SMILES[2H]C([2H])(CCC=C)CC(CCCC)OCOC
InChIInChI=1S/C13H26O2/c1-4-6-8-9-11-13(10-7-5-2)15-12-14-3/h4,13H,1,5-12H2,2-3H3/i9D2
InChIKeyXEGJKIZAFHOWKJ-KNXIQCGSSA-N
MW216.36 g/mol
LogP3.91
Rot. Bonds11

About 5,5-dideuterio-7-(methoxymethoxy)undec-1-ene

5,5-dideuterio-7-(methoxymethoxy)undec-1-ene (PubChem CID 15262319) has the molecular formula C13H26O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 5,5-dideuterio-7-(methoxymethoxy)undec-1-ene.

Molecular Properties

Compound Name5,5-dideuterio-7-(methoxymethoxy)undec-1-ene
PubChem CID15262319
Molecular FormulaC13H26O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name5,5-dideuterio-7-(methoxymethoxy)undec-1-ene
SMILES[2H]C([2H])(CCC=C)CC(CCCC)OCOC
InChIInChI=1S/C13H26O2/c1-4-6-8-9-11-13(10-7-5-2)15-12-14-3/h4,13H,1,5-12H2,2-3H3/i9D2
InChIKeyXEGJKIZAFHOWKJ-KNXIQCGSSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.91
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 5,5-dideuterio-7-(methoxymethoxy)undec-1-ene?
The IUPAC name of 5,5-dideuterio-7-(methoxymethoxy)undec-1-ene (CID 15262319) is 5,5-dideuterio-7-(methoxymethoxy)undec-1-ene.
What is the SMILES notation for 5,5-dideuterio-7-(methoxymethoxy)undec-1-ene?
The canonical SMILES for 5,5-dideuterio-7-(methoxymethoxy)undec-1-ene is [2H]C([2H])(CCC=C)CC(CCCC)OCOC.
What is the InChIKey of 5,5-dideuterio-7-(methoxymethoxy)undec-1-ene?
The InChIKey is XEGJKIZAFHOWKJ-KNXIQCGSSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-6-8-9-11-13(10-7-5-2)15-12-14-3/h4,13H,1,5-12H2,2-3H3/i9D2.
What are the key properties of 5,5-dideuterio-7-(methoxymethoxy)undec-1-ene?
5,5-dideuterio-7-(methoxymethoxy)undec-1-ene has a molecular weight of 216.36 g/mol, XLogP of 3.91, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dideuterio-7-(methoxymethoxy)undec-1-ene is sourced from PubChem (CID 15262319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).