[(E)-2-(dimethoxymethyl)hept-1-enyl]benzene

C16H24O2 — CID 6005821

IUPAC[(E)-2-(dimethoxymethyl)hept-1-enyl]benzene
SMILESCCCCC/C(=C\c1ccccc1)C(OC)OC
InChIInChI=1S/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3/b15-13+
InChIKeyQCHZKUPVENJLAW-FYWRMAATSA-N
MW248.37 g/mol
LogP4.27
Rot. Bonds8

About [(E)-2-(dimethoxymethyl)hept-1-enyl]benzene

[(E)-2-(dimethoxymethyl)hept-1-enyl]benzene (PubChem CID 6005821) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is [(E)-2-(dimethoxymethyl)hept-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-2-(dimethoxymethyl)hept-1-enyl]benzene
PubChem CID6005821
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name[(E)-2-(dimethoxymethyl)hept-1-enyl]benzene
SMILESCCCCC/C(=C\c1ccccc1)C(OC)OC
InChIInChI=1S/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3/b15-13+
InChIKeyQCHZKUPVENJLAW-FYWRMAATSA-N
XLogP4.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.27
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'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(dimethoxymethyl)hept-1-enyl]benzene?
The IUPAC name of [(E)-2-(dimethoxymethyl)hept-1-enyl]benzene (CID 6005821) is [(E)-2-(dimethoxymethyl)hept-1-enyl]benzene.
What is the SMILES notation for [(E)-2-(dimethoxymethyl)hept-1-enyl]benzene?
The canonical SMILES for [(E)-2-(dimethoxymethyl)hept-1-enyl]benzene is CCCCC/C(=C\c1ccccc1)C(OC)OC.
What is the InChIKey of [(E)-2-(dimethoxymethyl)hept-1-enyl]benzene?
The InChIKey is QCHZKUPVENJLAW-FYWRMAATSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-5-7-12-15(16(17-2)18-3)13-14-10-8-6-9-11-14/h6,8-11,13,16H,4-5,7,12H2,1-3H3/b15-13+.
What are the key properties of [(E)-2-(dimethoxymethyl)hept-1-enyl]benzene?
[(E)-2-(dimethoxymethyl)hept-1-enyl]benzene has a molecular weight of 248.37 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(dimethoxymethyl)hept-1-enyl]benzene is sourced from PubChem (CID 6005821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).