11,11-dimethoxy-4,8-dimethylundec-7-enal

C15H28O3 — CID 156747021

IUPAC11,11-dimethoxy-4,8-dimethylundec-7-enal
SMILESCOC(CCC(C)=CCCC(C)CCC=O)OC
InChIInChI=1S/C15H28O3/c1-13(9-6-12-16)7-5-8-14(2)10-11-15(17-3)18-4/h8,12-13,15H,5-7,9-11H2,1-4H3
InChIKeyBYXAEABCZKPIKO-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.73
Rot. Bonds11

About 11,11-dimethoxy-4,8-dimethylundec-7-enal

11,11-dimethoxy-4,8-dimethylundec-7-enal (PubChem CID 156747021) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 11,11-dimethoxy-4,8-dimethylundec-7-enal.

Molecular Properties

Compound Name11,11-dimethoxy-4,8-dimethylundec-7-enal
PubChem CID156747021
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name11,11-dimethoxy-4,8-dimethylundec-7-enal
SMILESCOC(CCC(C)=CCCC(C)CCC=O)OC
InChIInChI=1S/C15H28O3/c1-13(9-6-12-16)7-5-8-14(2)10-11-15(17-3)18-4/h8,12-13,15H,5-7,9-11H2,1-4H3
InChIKeyBYXAEABCZKPIKO-UHFFFAOYSA-N
XLogP3.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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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Related Compounds

2,6-Dimethyloct-2-ene-1,8-dicarbaldehyde
CID 132275855
3-[(1S,6R)-6-(dimethoxymethyl)-6-methylcyclohex-2-en-1-yl]propanal
CID 10900328
3-(4-Methylpent-3-enyl)hexanedial
CID 85844253
[(1R,5R,6R)-6-dimethoxymethyl-5-isopropyl-2-methyl-cyclohex-2-enyl]-acetaldehyde
CID 11322786
1,1-Diethoxyethane;3,7-dimethyloct-6-enal
CID 87148533
Butane;1,1-diethoxyethane;3,7-dimethyloct-6-enal
CID 87250700
1,1-diethoxyheptane;(5E)-2,6,10-trimethylundeca-5,9-dienal
CID 87254008
18,18-Diethoxy-9,13,17-trimethyloctadeca-9,13-dienal
CID 87254009
1,1-Dimethoxyethane;3,7-dimethyloct-6-enal
CID 87815503
2-[(1R,5R,6S)-6-(dimethoxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetaldehyde
CID 87926251
(E)-11,11-dimethoxy-4,8-dimethylundec-7-enal
CID 156409605
(1R,2R)-2,4-dimethylcyclohex-3-ene-1-carbaldehyde;trimethoxymethane
CID 157990834

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethoxy-4,8-dimethylundec-7-enal?
The IUPAC name of 11,11-dimethoxy-4,8-dimethylundec-7-enal (CID 156747021) is 11,11-dimethoxy-4,8-dimethylundec-7-enal.
What is the SMILES notation for 11,11-dimethoxy-4,8-dimethylundec-7-enal?
The canonical SMILES for 11,11-dimethoxy-4,8-dimethylundec-7-enal is COC(CCC(C)=CCCC(C)CCC=O)OC.
What is the InChIKey of 11,11-dimethoxy-4,8-dimethylundec-7-enal?
The InChIKey is BYXAEABCZKPIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-13(9-6-12-16)7-5-8-14(2)10-11-15(17-3)18-4/h8,12-13,15H,5-7,9-11H2,1-4H3.
What are the key properties of 11,11-dimethoxy-4,8-dimethylundec-7-enal?
11,11-dimethoxy-4,8-dimethylundec-7-enal has a molecular weight of 256.39 g/mol, XLogP of 3.73, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethoxy-4,8-dimethylundec-7-enal is sourced from PubChem (CID 156747021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).