(E)-9-deuterio-7-(deuteriomethyl)-1-methoxynon-2-ene

C11H22O — CID 13315716

IUPAC(E)-9-deuterio-7-(deuteriomethyl)-1-methoxynon-2-ene
SMILES[2H]CCC(C[2H])CCC/C=C/COC
InChIInChI=1S/C11H22O/c1-4-11(2)9-7-5-6-8-10-12-3/h6,8,11H,4-5,7,9-10H2,1-3H3/b8-6+/i1D,2D
InChIKeyRBDVHVVOLWICRV-GVFCFHFXSA-N
MW172.31 g/mol
LogP3.41
Rot. Bonds9

About (E)-9-deuterio-7-(deuteriomethyl)-1-methoxynon-2-ene

(E)-9-deuterio-7-(deuteriomethyl)-1-methoxynon-2-ene (PubChem CID 13315716) has the molecular formula C11H22O and a molecular weight of 172.31 g/mol. Its IUPAC name is (E)-9-deuterio-7-(deuteriomethyl)-1-methoxynon-2-ene.

Molecular Properties

Compound Name(E)-9-deuterio-7-(deuteriomethyl)-1-methoxynon-2-ene
PubChem CID13315716
Molecular FormulaC11H22O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name(E)-9-deuterio-7-(deuteriomethyl)-1-methoxynon-2-ene
SMILES[2H]CCC(C[2H])CCC/C=C/COC
InChIInChI=1S/C11H22O/c1-4-11(2)9-7-5-6-8-10-12-3/h6,8,11H,4-5,7,9-10H2,1-3H3/b8-6+/i1D,2D
InChIKeyRBDVHVVOLWICRV-GVFCFHFXSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-9-deuterio-7-(deuteriomethyl)-1-methoxynon-2-ene?
The IUPAC name of (E)-9-deuterio-7-(deuteriomethyl)-1-methoxynon-2-ene (CID 13315716) is (E)-9-deuterio-7-(deuteriomethyl)-1-methoxynon-2-ene.
What is the SMILES notation for (E)-9-deuterio-7-(deuteriomethyl)-1-methoxynon-2-ene?
The canonical SMILES for (E)-9-deuterio-7-(deuteriomethyl)-1-methoxynon-2-ene is [2H]CCC(C[2H])CCC/C=C/COC.
What is the InChIKey of (E)-9-deuterio-7-(deuteriomethyl)-1-methoxynon-2-ene?
The InChIKey is RBDVHVVOLWICRV-GVFCFHFXSA-N. The full InChI is InChI=1S/C11H22O/c1-4-11(2)9-7-5-6-8-10-12-3/h6,8,11H,4-5,7,9-10H2,1-3H3/b8-6+/i1D,2D.
What are the key properties of (E)-9-deuterio-7-(deuteriomethyl)-1-methoxynon-2-ene?
(E)-9-deuterio-7-(deuteriomethyl)-1-methoxynon-2-ene has a molecular weight of 172.31 g/mol, XLogP of 3.41, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-deuterio-7-(deuteriomethyl)-1-methoxynon-2-ene is sourced from PubChem (CID 13315716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).