[(E)-7,7-diethoxyhept-4-enyl]benzene

C17H26O2 — CID 146167002

IUPAC[(E)-7,7-diethoxyhept-4-enyl]benzene
SMILESCCOC(C/C=C/CCCc1ccccc1)OCC
InChIInChI=1S/C17H26O2/c1-3-18-17(19-4-2)15-11-6-5-8-12-16-13-9-7-10-14-16/h6-7,9-11,13-14,17H,3-5,8,12,15H2,1-2H3/b11-6+
InChIKeyWOTMJDCKIZRHHW-IZZDOVSWSA-N
MW262.39 g/mol
LogP4.35
Rot. Bonds10

About [(E)-7,7-diethoxyhept-4-enyl]benzene

[(E)-7,7-diethoxyhept-4-enyl]benzene (PubChem CID 146167002) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is [(E)-7,7-diethoxyhept-4-enyl]benzene.

Molecular Properties

Compound Name[(E)-7,7-diethoxyhept-4-enyl]benzene
PubChem CID146167002
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name[(E)-7,7-diethoxyhept-4-enyl]benzene
SMILESCCOC(C/C=C/CCCc1ccccc1)OCC
InChIInChI=1S/C17H26O2/c1-3-18-17(19-4-2)15-11-6-5-8-12-16-13-9-7-10-14-16/h6-7,9-11,13-14,17H,3-5,8,12,15H2,1-2H3/b11-6+
InChIKeyWOTMJDCKIZRHHW-IZZDOVSWSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

Phenyl acetaldehyde dimethyl acetal
CID 60995
2-Phenylpropionaldehyde dimethyl acetal
CID 62336
Phenylacetaldehyde 2,3-butylene glycol acetal
CID 230525
Acetaldehyde phenethyl propyl acetal
CID 61403
Phenylacetaldehyde diethyl acetal
CID 80584
Acetaldehyde butyl phenethyl acetal
CID 62876
Phenyl acetaldehyde diisobutyl acetal
CID 71544
1,1-Bis(phenethyloxy)ethane
CID 101592
Benzene, (2-(1-ethoxyethoxy)ethyl)-
CID 102849
2-Benzyl-1,3-dioxolane
CID 7562
1,3-Dioxane, 4,4,6-trimethyl-2-(phenylmethyl)-
CID 95266
(3,3-Diethoxy-1-propen-1-yl)benzene
CID 5356250

Frequently Asked Questions

What is the IUPAC name of [(E)-7,7-diethoxyhept-4-enyl]benzene?
The IUPAC name of [(E)-7,7-diethoxyhept-4-enyl]benzene (CID 146167002) is [(E)-7,7-diethoxyhept-4-enyl]benzene.
What is the SMILES notation for [(E)-7,7-diethoxyhept-4-enyl]benzene?
The canonical SMILES for [(E)-7,7-diethoxyhept-4-enyl]benzene is CCOC(C/C=C/CCCc1ccccc1)OCC.
What is the InChIKey of [(E)-7,7-diethoxyhept-4-enyl]benzene?
The InChIKey is WOTMJDCKIZRHHW-IZZDOVSWSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-18-17(19-4-2)15-11-6-5-8-12-16-13-9-7-10-14-16/h6-7,9-11,13-14,17H,3-5,8,12,15H2,1-2H3/b11-6+.
What are the key properties of [(E)-7,7-diethoxyhept-4-enyl]benzene?
[(E)-7,7-diethoxyhept-4-enyl]benzene has a molecular weight of 262.39 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-7,7-diethoxyhept-4-enyl]benzene is sourced from PubChem (CID 146167002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).