4-ethenyl-6-methyl-7,7-bis(prop-1-enyl)-5-prop-1-en-2-ylundeca-1,5,8-triene

C23H34 — CID 141196487

IUPAC4-ethenyl-6-methyl-7,7-bis(prop-1-enyl)-5-prop-1-en-2-ylundeca-1,5,8-triene
SMILESC=CCC(C=C)C(C(=C)C)=C(C)C(C=CC)(C=CC)C=CCC
InChIInChI=1S/C23H34/c1-9-14-18-23(16-11-3,17-12-4)20(8)22(19(6)7)21(13-5)15-10-2/h10-14,16-18,21H,2,5-6,9,15H2,1,3-4,7-8H3
InChIKeyZSLCPUPEHZSXKF-UHFFFAOYSA-N
MW310.53 g/mol
LogP7.36
Rot. Bonds10

About 4-ethenyl-6-methyl-7,7-bis(prop-1-enyl)-5-prop-1-en-2-ylundeca-1,5,8-triene

4-ethenyl-6-methyl-7,7-bis(prop-1-enyl)-5-prop-1-en-2-ylundeca-1,5,8-triene (PubChem CID 141196487) has the molecular formula C23H34 and a molecular weight of 310.53 g/mol. Its IUPAC name is 4-ethenyl-6-methyl-7,7-bis(prop-1-enyl)-5-prop-1-en-2-ylundeca-1,5,8-triene.

Molecular Properties

Compound Name4-ethenyl-6-methyl-7,7-bis(prop-1-enyl)-5-prop-1-en-2-ylundeca-1,5,8-triene
PubChem CID141196487
Molecular FormulaC23H34
Molecular Weight310.53 g/mol
Exact Mass310.27
IUPAC Name4-ethenyl-6-methyl-7,7-bis(prop-1-enyl)-5-prop-1-en-2-ylundeca-1,5,8-triene
SMILESC=CCC(C=C)C(C(=C)C)=C(C)C(C=CC)(C=CC)C=CCC
InChIInChI=1S/C23H34/c1-9-14-18-23(16-11-3,17-12-4)20(8)22(19(6)7)21(13-5)15-10-2/h10-14,16-18,21H,2,5-6,9,15H2,1,3-4,7-8H3
InChIKeyZSLCPUPEHZSXKF-UHFFFAOYSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 57.36
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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Related Compounds

6-ethenyl-4-methyl-5,6-bis(prop-1-enyl)deca-2,4,7-triene
CID 141300507
3-ethenylhex-5-en-2-one
CID 529432
(3E,5E)-6,7-bis(ethenyl)-3-methyldeca-1,3,5,9-tetraene
CID 142289547
but-1-ene;(Z)-pent-2-ene
CID 156866422
(5Z)-4,4-dimethylocta-1,5-dien-3-ol
CID 173450369
2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene
CID 162498864
3-ethylidene-4-prop-1-en-2-yl-4-prop-2-enylocta-1,5-diene
CID 141167228
(3Z,6S)-6-ethenyl-5-propan-2-ylidenenona-1,3,8-triene
CID 145452305
4-amino-2-methylhepta-1,6-dien-3-one
CID 116606914
2-ethyl-2-prop-1-enylhex-3-en-1-ol
CID 140998508
4-prop-1-en-2-ylocta-2,5-diene
CID 141105278
(5Z)-5-methylhepta-1,5-dien-4-amine
CID 143795621

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-6-methyl-7,7-bis(prop-1-enyl)-5-prop-1-en-2-ylundeca-1,5,8-triene?
The IUPAC name of 4-ethenyl-6-methyl-7,7-bis(prop-1-enyl)-5-prop-1-en-2-ylundeca-1,5,8-triene (CID 141196487) is 4-ethenyl-6-methyl-7,7-bis(prop-1-enyl)-5-prop-1-en-2-ylundeca-1,5,8-triene.
What is the SMILES notation for 4-ethenyl-6-methyl-7,7-bis(prop-1-enyl)-5-prop-1-en-2-ylundeca-1,5,8-triene?
The canonical SMILES for 4-ethenyl-6-methyl-7,7-bis(prop-1-enyl)-5-prop-1-en-2-ylundeca-1,5,8-triene is C=CCC(C=C)C(C(=C)C)=C(C)C(C=CC)(C=CC)C=CCC.
What is the InChIKey of 4-ethenyl-6-methyl-7,7-bis(prop-1-enyl)-5-prop-1-en-2-ylundeca-1,5,8-triene?
The InChIKey is ZSLCPUPEHZSXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34/c1-9-14-18-23(16-11-3,17-12-4)20(8)22(19(6)7)21(13-5)15-10-2/h10-14,16-18,21H,2,5-6,9,15H2,1,3-4,7-8H3.
What are the key properties of 4-ethenyl-6-methyl-7,7-bis(prop-1-enyl)-5-prop-1-en-2-ylundeca-1,5,8-triene?
4-ethenyl-6-methyl-7,7-bis(prop-1-enyl)-5-prop-1-en-2-ylundeca-1,5,8-triene has a molecular weight of 310.53 g/mol, XLogP of 7.36, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-6-methyl-7,7-bis(prop-1-enyl)-5-prop-1-en-2-ylundeca-1,5,8-triene is sourced from PubChem (CID 141196487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).