ethane;1-[(E)-7-methoxyhept-1-enyl]-3-methylbenzene

C19H34O — CID 143806753

IUPACethane;1-[(E)-7-methoxyhept-1-enyl]-3-methylbenzene
SMILESCC.CC.COCCCCC/C=C/c1cccc(C)c1
InChIInChI=1S/C15H22O.2C2H6/c1-14-9-8-11-15(13-14)10-6-4-3-5-7-12-16-2;2*1-2/h6,8-11,13H,3-5,7,12H2,1-2H3;2*1-2H3/b10-6+;;
InChIKeySERVYAMRMIATEW-DOLBFOAYSA-N
MW278.48 g/mol
LogP6.27
Rot. Bonds7

About ethane;1-[(E)-7-methoxyhept-1-enyl]-3-methylbenzene

ethane;1-[(E)-7-methoxyhept-1-enyl]-3-methylbenzene (PubChem CID 143806753) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is ethane;1-[(E)-7-methoxyhept-1-enyl]-3-methylbenzene.

Molecular Properties

Compound Nameethane;1-[(E)-7-methoxyhept-1-enyl]-3-methylbenzene
PubChem CID143806753
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Nameethane;1-[(E)-7-methoxyhept-1-enyl]-3-methylbenzene
SMILESCC.CC.COCCCCC/C=C/c1cccc(C)c1
InChIInChI=1S/C15H22O.2C2H6/c1-14-9-8-11-15(13-14)10-6-4-3-5-7-12-16-2;2*1-2/h6,8-11,13H,3-5,7,12H2,1-2H3;2*1-2H3/b10-6+;;
InChIKeySERVYAMRMIATEW-DOLBFOAYSA-N
XLogP6.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethane;1-[(E)-7-methoxyhept-1-enyl]-3-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(E)-7-methoxyhept-1-enyl]-3-methylbenzene?
The IUPAC name of ethane;1-[(E)-7-methoxyhept-1-enyl]-3-methylbenzene (CID 143806753) is ethane;1-[(E)-7-methoxyhept-1-enyl]-3-methylbenzene.
What is the SMILES notation for ethane;1-[(E)-7-methoxyhept-1-enyl]-3-methylbenzene?
The canonical SMILES for ethane;1-[(E)-7-methoxyhept-1-enyl]-3-methylbenzene is CC.CC.COCCCCC/C=C/c1cccc(C)c1.
What is the InChIKey of ethane;1-[(E)-7-methoxyhept-1-enyl]-3-methylbenzene?
The InChIKey is SERVYAMRMIATEW-DOLBFOAYSA-N. The full InChI is InChI=1S/C15H22O.2C2H6/c1-14-9-8-11-15(13-14)10-6-4-3-5-7-12-16-2;2*1-2/h6,8-11,13H,3-5,7,12H2,1-2H3;2*1-2H3/b10-6+;;.
What are the key properties of ethane;1-[(E)-7-methoxyhept-1-enyl]-3-methylbenzene?
ethane;1-[(E)-7-methoxyhept-1-enyl]-3-methylbenzene has a molecular weight of 278.48 g/mol, XLogP of 6.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(E)-7-methoxyhept-1-enyl]-3-methylbenzene is sourced from PubChem (CID 143806753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).