8,8-dimethoxyoctanal

C10H20O3 — CID 11008678

IUPAC8,8-dimethoxyoctanal
SMILESCOC(CCCCCCC=O)OC
InChIInChI=1S/C10H20O3/c1-12-10(13-2)8-6-4-3-5-7-9-11/h9-10H,3-8H2,1-2H3
InChIKeyIMYGEMWEMNADHV-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.14
Rot. Bonds9

About 8,8-dimethoxyoctanal

8,8-dimethoxyoctanal (PubChem CID 11008678) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 8,8-dimethoxyoctanal.

Molecular Properties

Compound Name8,8-dimethoxyoctanal
PubChem CID11008678
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name8,8-dimethoxyoctanal
SMILESCOC(CCCCCCC=O)OC
InChIInChI=1S/C10H20O3/c1-12-10(13-2)8-6-4-3-5-7-9-11/h9-10H,3-8H2,1-2H3
InChIKeyIMYGEMWEMNADHV-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.14
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'}

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Related Compounds

Methyl 9-oxononanoate
CID 74732
Methyl 8-oxooctanoate
CID 535040
Methyl 9,9-dimethoxynonanoate
CID 95957
Methyl 10-oxodecanoate
CID 519005
Methyl 12,12-dimethoxydodecanoate
CID 554421
Methyl 8,8-dimethoxyoctanoate
CID 554817
Ethyl 9,9-dimethoxynonanoate
CID 129727304
7,7-Dimethoxyheptanal
CID 554274
12-Oxo-dodecanoic acid methyl ester
CID 10421317
6,6-Dimethoxyhexanal
CID 11094926
Methyl 14-oxotetradecanoate
CID 54367256
Methyl 12-formyldodecanoate
CID 10331995

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethoxyoctanal?
The IUPAC name of 8,8-dimethoxyoctanal (CID 11008678) is 8,8-dimethoxyoctanal.
What is the SMILES notation for 8,8-dimethoxyoctanal?
The canonical SMILES for 8,8-dimethoxyoctanal is COC(CCCCCCC=O)OC.
What is the InChIKey of 8,8-dimethoxyoctanal?
The InChIKey is IMYGEMWEMNADHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-12-10(13-2)8-6-4-3-5-7-9-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 8,8-dimethoxyoctanal?
8,8-dimethoxyoctanal has a molecular weight of 188.27 g/mol, XLogP of 2.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethoxyoctanal is sourced from PubChem (CID 11008678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).