[5-(3-methylbut-3-en-2-ylidene)-8-methylideneundeca-1,3,6-trien-2-yl]benzene

C23H28 — CID 173357711

IUPAC[5-(3-methylbut-3-en-2-ylidene)-8-methylideneundeca-1,3,6-trien-2-yl]benzene
SMILESC=C(C=CC(C=CC(=C)c1ccccc1)=C(C)C(=C)C)CCC
InChIInChI=1S/C23H28/c1-7-11-19(4)14-16-23(21(6)18(2)3)17-15-20(5)22-12-9-8-10-13-22/h8-10,12-17H,2,4-5,7,11H2,1,3,6H3
InChIKeyIAVGTHWAGRICSN-UHFFFAOYSA-N
MW304.48 g/mol
LogP7.06
Rot. Bonds8

About [5-(3-methylbut-3-en-2-ylidene)-8-methylideneundeca-1,3,6-trien-2-yl]benzene

[5-(3-methylbut-3-en-2-ylidene)-8-methylideneundeca-1,3,6-trien-2-yl]benzene (PubChem CID 173357711) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is [5-(3-methylbut-3-en-2-ylidene)-8-methylideneundeca-1,3,6-trien-2-yl]benzene.

Molecular Properties

Compound Name[5-(3-methylbut-3-en-2-ylidene)-8-methylideneundeca-1,3,6-trien-2-yl]benzene
PubChem CID173357711
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Name[5-(3-methylbut-3-en-2-ylidene)-8-methylideneundeca-1,3,6-trien-2-yl]benzene
SMILESC=C(C=CC(C=CC(=C)c1ccccc1)=C(C)C(=C)C)CCC
InChIInChI=1S/C23H28/c1-7-11-19(4)14-16-23(21(6)18(2)3)17-15-20(5)22-12-9-8-10-13-22/h8-10,12-17H,2,4-5,7,11H2,1,3,6H3
InChIKeyIAVGTHWAGRICSN-UHFFFAOYSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

pent-1-en-2-ylbenzene
CID 521761
1-[5-ethyl-2-methyl-4-[(4Z)-3-methylidene-6-phenylhepta-4,6-dienyl]thiophen-3-yl]ethanone
CID 170127105
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
ethylbenzene;(3Z)-5-methylideneocta-1,3-diene
CID 142937087
[6-methyl-5-(4-methylpenta-2,4-dienyl)deca-1,3,5,7-tetraen-2-yl]benzene
CID 173364343
(1Z)-3-phenylbuta-1,3-dien-1-amine
CID 118909189
1-[(Z)-2-methylpent-1-enyl]sulfanylethenylbenzene
CID 170033214
[(E)-but-2-en-2-yl]benzene;heptane;2-methylprop-1-ene
CID 144959576
[4-[2-fluoro-4-[(3Z)-5-methylideneocta-1,3-dien-2-yl]phenyl]phenyl]methanol
CID 142370781
methane;propane;prop-1-en-2-ylbenzene
CID 145329923
acetaldehyde;buta-1,3-dien-2-ylbenzene
CID 23325207
(1E,3E)-5-phenylhexa-1,3,5-trien-1-ol
CID 173058434

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylbut-3-en-2-ylidene)-8-methylideneundeca-1,3,6-trien-2-yl]benzene?
The IUPAC name of [5-(3-methylbut-3-en-2-ylidene)-8-methylideneundeca-1,3,6-trien-2-yl]benzene (CID 173357711) is [5-(3-methylbut-3-en-2-ylidene)-8-methylideneundeca-1,3,6-trien-2-yl]benzene.
What is the SMILES notation for [5-(3-methylbut-3-en-2-ylidene)-8-methylideneundeca-1,3,6-trien-2-yl]benzene?
The canonical SMILES for [5-(3-methylbut-3-en-2-ylidene)-8-methylideneundeca-1,3,6-trien-2-yl]benzene is C=C(C=CC(C=CC(=C)c1ccccc1)=C(C)C(=C)C)CCC.
What is the InChIKey of [5-(3-methylbut-3-en-2-ylidene)-8-methylideneundeca-1,3,6-trien-2-yl]benzene?
The InChIKey is IAVGTHWAGRICSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28/c1-7-11-19(4)14-16-23(21(6)18(2)3)17-15-20(5)22-12-9-8-10-13-22/h8-10,12-17H,2,4-5,7,11H2,1,3,6H3.
What are the key properties of [5-(3-methylbut-3-en-2-ylidene)-8-methylideneundeca-1,3,6-trien-2-yl]benzene?
[5-(3-methylbut-3-en-2-ylidene)-8-methylideneundeca-1,3,6-trien-2-yl]benzene has a molecular weight of 304.48 g/mol, XLogP of 7.06, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylbut-3-en-2-ylidene)-8-methylideneundeca-1,3,6-trien-2-yl]benzene is sourced from PubChem (CID 173357711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).