6-ethenyl-4-methyl-5,6-bis(prop-1-enyl)deca-2,4,7-triene

C19H28 — CID 141300507

IUPAC6-ethenyl-4-methyl-5,6-bis(prop-1-enyl)deca-2,4,7-triene
SMILESC=CC(C=CC)(C=CCC)C(C=CC)=C(C)C=CC
InChIInChI=1S/C19H28/c1-7-12-16-19(11-5,15-10-4)18(14-9-3)17(6)13-8-2/h8-16H,5,7H2,1-4,6H3
InChIKeyKYKSFNBPVURKFZ-UHFFFAOYSA-N
MW256.43 g/mol
LogP6.17
Rot. Bonds7

About 6-ethenyl-4-methyl-5,6-bis(prop-1-enyl)deca-2,4,7-triene

6-ethenyl-4-methyl-5,6-bis(prop-1-enyl)deca-2,4,7-triene (PubChem CID 141300507) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 6-ethenyl-4-methyl-5,6-bis(prop-1-enyl)deca-2,4,7-triene.

Molecular Properties

Compound Name6-ethenyl-4-methyl-5,6-bis(prop-1-enyl)deca-2,4,7-triene
PubChem CID141300507
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name6-ethenyl-4-methyl-5,6-bis(prop-1-enyl)deca-2,4,7-triene
SMILESC=CC(C=CC)(C=CCC)C(C=CC)=C(C)C=CC
InChIInChI=1S/C19H28/c1-7-12-16-19(11-5,15-10-4)18(14-9-3)17(6)13-8-2/h8-16H,5,7H2,1-4,6H3
InChIKeyKYKSFNBPVURKFZ-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-4-methyl-5,6-bis(prop-1-enyl)deca-2,4,7-triene?
The IUPAC name of 6-ethenyl-4-methyl-5,6-bis(prop-1-enyl)deca-2,4,7-triene (CID 141300507) is 6-ethenyl-4-methyl-5,6-bis(prop-1-enyl)deca-2,4,7-triene.
What is the SMILES notation for 6-ethenyl-4-methyl-5,6-bis(prop-1-enyl)deca-2,4,7-triene?
The canonical SMILES for 6-ethenyl-4-methyl-5,6-bis(prop-1-enyl)deca-2,4,7-triene is C=CC(C=CC)(C=CCC)C(C=CC)=C(C)C=CC.
What is the InChIKey of 6-ethenyl-4-methyl-5,6-bis(prop-1-enyl)deca-2,4,7-triene?
The InChIKey is KYKSFNBPVURKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-7-12-16-19(11-5,15-10-4)18(14-9-3)17(6)13-8-2/h8-16H,5,7H2,1-4,6H3.
What are the key properties of 6-ethenyl-4-methyl-5,6-bis(prop-1-enyl)deca-2,4,7-triene?
6-ethenyl-4-methyl-5,6-bis(prop-1-enyl)deca-2,4,7-triene has a molecular weight of 256.43 g/mol, XLogP of 6.17, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4-methyl-5,6-bis(prop-1-enyl)deca-2,4,7-triene is sourced from PubChem (CID 141300507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).