6,6-dimethoxyhexanal

C8H16O3 — CID 11094926

IUPAC6,6-dimethoxyhexanal
SMILESCOC(CCCCC=O)OC
InChIInChI=1S/C8H16O3/c1-10-8(11-2)6-4-3-5-7-9/h7-8H,3-6H2,1-2H3
InChIKeyMYGCEGWHEVJNCR-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.36
Rot. Bonds7

About 6,6-dimethoxyhexanal

6,6-dimethoxyhexanal (PubChem CID 11094926) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 6,6-dimethoxyhexanal.

Molecular Properties

Compound Name6,6-dimethoxyhexanal
PubChem CID11094926
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name6,6-dimethoxyhexanal
SMILESCOC(CCCCC=O)OC
InChIInChI=1S/C8H16O3/c1-10-8(11-2)6-4-3-5-7-9/h7-8H,3-6H2,1-2H3
InChIKeyMYGCEGWHEVJNCR-UHFFFAOYSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.36
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

7,7-Dimethoxyheptanal
CID 554274
Methyl 6,6-dimethoxyhexanoate
CID 11041551
8,8-Dimethoxyoctanal
CID 11008678
2-Heptanone, 7,7-dimethoxy-
CID 11030320
13,15-Dioxahexadecanal
CID 11746881
8-(Methoxymethoxy)octanal
CID 13319193
Dodecanal, 12,12-dimethoxy-
CID 11459205
5-(1,3-Dioxan-2-yl)pentanal
CID 14247648
2-Fluoro-7,7-dimethoxyheptanal
CID 55266110
2-Fluoro-6,6-dimethoxyhexanal
CID 55268014
6,6-Dimethoxy-4-methylhexanal
CID 13584069
(4R)-6,6-dimethoxy-4-methylhexanal
CID 13584070

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethoxyhexanal?
The IUPAC name of 6,6-dimethoxyhexanal (CID 11094926) is 6,6-dimethoxyhexanal.
What is the SMILES notation for 6,6-dimethoxyhexanal?
The canonical SMILES for 6,6-dimethoxyhexanal is COC(CCCCC=O)OC.
What is the InChIKey of 6,6-dimethoxyhexanal?
The InChIKey is MYGCEGWHEVJNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-10-8(11-2)6-4-3-5-7-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 6,6-dimethoxyhexanal?
6,6-dimethoxyhexanal has a molecular weight of 160.21 g/mol, XLogP of 1.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethoxyhexanal is sourced from PubChem (CID 11094926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).