(E)-8,8-dimethoxyoct-6-enal

C10H18O3 — CID 15635094

IUPAC(E)-8,8-dimethoxyoct-6-enal
SMILESCOC(/C=C/CCCCC=O)OC
InChIInChI=1S/C10H18O3/c1-12-10(13-2)8-6-4-3-5-7-9-11/h6,8-10H,3-5,7H2,1-2H3/b8-6+
InChIKeyQSPDOLGUTIXVTB-SOFGYWHQSA-N
MW186.25 g/mol
LogP1.92
Rot. Bonds8

About (E)-8,8-dimethoxyoct-6-enal

(E)-8,8-dimethoxyoct-6-enal (PubChem CID 15635094) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (E)-8,8-dimethoxyoct-6-enal.

Molecular Properties

Compound Name(E)-8,8-dimethoxyoct-6-enal
PubChem CID15635094
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(E)-8,8-dimethoxyoct-6-enal
SMILESCOC(/C=C/CCCCC=O)OC
InChIInChI=1S/C10H18O3/c1-12-10(13-2)8-6-4-3-5-7-9-11/h6,8-10H,3-5,7H2,1-2H3/b8-6+
InChIKeyQSPDOLGUTIXVTB-SOFGYWHQSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (E)-8,8-dimethoxyoct-6-enal?
The IUPAC name of (E)-8,8-dimethoxyoct-6-enal (CID 15635094) is (E)-8,8-dimethoxyoct-6-enal.
What is the SMILES notation for (E)-8,8-dimethoxyoct-6-enal?
The canonical SMILES for (E)-8,8-dimethoxyoct-6-enal is COC(/C=C/CCCCC=O)OC.
What is the InChIKey of (E)-8,8-dimethoxyoct-6-enal?
The InChIKey is QSPDOLGUTIXVTB-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H18O3/c1-12-10(13-2)8-6-4-3-5-7-9-11/h6,8-10H,3-5,7H2,1-2H3/b8-6+.
What are the key properties of (E)-8,8-dimethoxyoct-6-enal?
(E)-8,8-dimethoxyoct-6-enal has a molecular weight of 186.25 g/mol, XLogP of 1.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8,8-dimethoxyoct-6-enal is sourced from PubChem (CID 15635094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).