3-methylidenehexa-1,5-dienylbenzene

C13H14 — CID 91462771

IUPAC3-methylidenehexa-1,5-dienylbenzene
SMILESC=CCC(=C)C=Cc1ccccc1
InChIInChI=1S/C13H14/c1-3-7-12(2)10-11-13-8-5-4-6-9-13/h3-6,8-11H,1-2,7H2
InChIKeyDCLQGAFGEXJADK-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.83
Rot. Bonds4

About 3-methylidenehexa-1,5-dienylbenzene

3-methylidenehexa-1,5-dienylbenzene (PubChem CID 91462771) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-methylidenehexa-1,5-dienylbenzene.

Molecular Properties

Compound Name3-methylidenehexa-1,5-dienylbenzene
PubChem CID91462771
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name3-methylidenehexa-1,5-dienylbenzene
SMILESC=CCC(=C)C=Cc1ccccc1
InChIInChI=1S/C13H14/c1-3-7-12(2)10-11-13-8-5-4-6-9-13/h3-6,8-11H,1-2,7H2
InChIKeyDCLQGAFGEXJADK-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.83
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

5-methylideneocta-1,3,7-trienylbenzene
CID 173155039
3-methylidenehepta-1,5-dienylbenzene
CID 90998971
N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine
CID 5080488
[(E)-5,5,5-trifluoro-3-methylidenepent-1-enyl]benzene
CID 102489190
[(1E,3Z)-3-(ethylsulfanylmethylidene)hexa-1,5-dienyl]benzene
CID 122386012
2-methyl-3-(2-phenylethenyl)hexa-2,5-dienoic acid
CID 173072754
(5E,7E)-8-phenylocta-1,5,7-trien-4-one
CID 100937640
dimethyl-[(E)-2-methylidene-4-phenylbut-3-enyl]-propan-2-yloxysilane
CID 10515523
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
ethyl (2Z,4E,8E)-3-methyl-7-methylidene-9-phenylnona-2,4,8-trienoate
CID 101156784
1-[(1E)-3-benzylbuta-1,3-dienyl]-4-methylbenzene
CID 102460258
2-[(E)-1-phenylpent-1-en-3-ylidene]propanedinitrile
CID 102042134

Frequently Asked Questions

What is the IUPAC name of 3-methylidenehexa-1,5-dienylbenzene?
The IUPAC name of 3-methylidenehexa-1,5-dienylbenzene (CID 91462771) is 3-methylidenehexa-1,5-dienylbenzene.
What is the SMILES notation for 3-methylidenehexa-1,5-dienylbenzene?
The canonical SMILES for 3-methylidenehexa-1,5-dienylbenzene is C=CCC(=C)C=Cc1ccccc1.
What is the InChIKey of 3-methylidenehexa-1,5-dienylbenzene?
The InChIKey is DCLQGAFGEXJADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-3-7-12(2)10-11-13-8-5-4-6-9-13/h3-6,8-11H,1-2,7H2.
What are the key properties of 3-methylidenehexa-1,5-dienylbenzene?
3-methylidenehexa-1,5-dienylbenzene has a molecular weight of 170.25 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenehexa-1,5-dienylbenzene is sourced from PubChem (CID 91462771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).