7,7-dimethoxyhept-1-enoxymethoxymethylbenzene

C17H26O4 — CID 162392397

IUPAC7,7-dimethoxyhept-1-enoxymethoxymethylbenzene
SMILESCOC(CCCCC=COCOCc1ccccc1)OC
InChIInChI=1S/C17H26O4/c1-18-17(19-2)12-8-3-4-9-13-20-15-21-14-16-10-6-5-7-11-16/h5-7,9-11,13,17H,3-4,8,12,14-15H2,1-2H3
InChIKeyZRAJEKBUHKJNSM-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.87
Rot. Bonds12

About 7,7-dimethoxyhept-1-enoxymethoxymethylbenzene

7,7-dimethoxyhept-1-enoxymethoxymethylbenzene (PubChem CID 162392397) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 7,7-dimethoxyhept-1-enoxymethoxymethylbenzene.

Molecular Properties

Compound Name7,7-dimethoxyhept-1-enoxymethoxymethylbenzene
PubChem CID162392397
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name7,7-dimethoxyhept-1-enoxymethoxymethylbenzene
SMILESCOC(CCCCC=COCOCc1ccccc1)OC
InChIInChI=1S/C17H26O4/c1-18-17(19-2)12-8-3-4-9-13-20-15-21-14-16-10-6-5-7-11-16/h5-7,9-11,13,17H,3-4,8,12,14-15H2,1-2H3
InChIKeyZRAJEKBUHKJNSM-UHFFFAOYSA-N
XLogP3.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-didecoxyhept-1-enoxymethoxymethylbenzene
CID 162392443
12,12-diheptoxydodec-1-enoxymethoxymethylbenzene
CID 163205468
5,5-diethoxypent-1-enoxymethoxymethylbenzene
CID 162392535
[1-(13,13-dimethoxy-1-phenylmethoxytridec-2-enoxy)-13,13-dimethoxytridec-2-enoxy]methylbenzene
CID 163287823
5,5-dioctoxypent-1-enoxymethoxymethylbenzene
CID 162392369
(4-hydroperoxy-4-methoxybutoxy)methylbenzene
CID 102051032
[(Z)-11,11-dimethoxyundec-4-enyl]iodanuidyl-triphenylphosphanium
CID 165377052
2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 171766048
[4-[(Z)-11,11-dimethoxyundec-4-enyl]phenyl]-iodo-diphenylphosphanium
CID 165175065
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
14,14-diethoxy-1-(ethoxymethoxy)tetradec-1-ene
CID 163205951
[(2R)-1-(6,6-dimethoxyhexoxy)-3-phenylmethoxypropan-2-yl] acetate
CID 18647593

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethoxyhept-1-enoxymethoxymethylbenzene?
The IUPAC name of 7,7-dimethoxyhept-1-enoxymethoxymethylbenzene (CID 162392397) is 7,7-dimethoxyhept-1-enoxymethoxymethylbenzene.
What is the SMILES notation for 7,7-dimethoxyhept-1-enoxymethoxymethylbenzene?
The canonical SMILES for 7,7-dimethoxyhept-1-enoxymethoxymethylbenzene is COC(CCCCC=COCOCc1ccccc1)OC.
What is the InChIKey of 7,7-dimethoxyhept-1-enoxymethoxymethylbenzene?
The InChIKey is ZRAJEKBUHKJNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-18-17(19-2)12-8-3-4-9-13-20-15-21-14-16-10-6-5-7-11-16/h5-7,9-11,13,17H,3-4,8,12,14-15H2,1-2H3.
What are the key properties of 7,7-dimethoxyhept-1-enoxymethoxymethylbenzene?
7,7-dimethoxyhept-1-enoxymethoxymethylbenzene has a molecular weight of 294.39 g/mol, XLogP of 3.87, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethoxyhept-1-enoxymethoxymethylbenzene is sourced from PubChem (CID 162392397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).