[(3Z)-4,5-dimethyl-2-methylidenehexa-3,5-dienyl]benzene

C15H18 — CID 143856849

IUPAC[(3Z)-4,5-dimethyl-2-methylidenehexa-3,5-dienyl]benzene
SMILESC=C(/C=C(/C)C(=C)C)Cc1ccccc1
InChIInChI=1S/C15H18/c1-12(2)14(4)10-13(3)11-15-8-6-5-7-9-15/h5-10H,1,3,11H2,2,4H3/b14-10-
InChIKeyWWEAJULMOQHZCZ-UVTDQMKNSA-N
MW198.31 g/mol
LogP4.31
Rot. Bonds4

About [(3Z)-4,5-dimethyl-2-methylidenehexa-3,5-dienyl]benzene

[(3Z)-4,5-dimethyl-2-methylidenehexa-3,5-dienyl]benzene (PubChem CID 143856849) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is [(3Z)-4,5-dimethyl-2-methylidenehexa-3,5-dienyl]benzene.

Molecular Properties

Compound Name[(3Z)-4,5-dimethyl-2-methylidenehexa-3,5-dienyl]benzene
PubChem CID143856849
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name[(3Z)-4,5-dimethyl-2-methylidenehexa-3,5-dienyl]benzene
SMILESC=C(/C=C(/C)C(=C)C)Cc1ccccc1
InChIInChI=1S/C15H18/c1-12(2)14(4)10-13(3)11-15-8-6-5-7-9-15/h5-10H,1,3,11H2,2,4H3/b14-10-
InChIKeyWWEAJULMOQHZCZ-UVTDQMKNSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.31
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

(2E)-4-benzyl-2-methylpenta-2,4-dienamide
CID 135192037
2-benzyl-1-deuterioprop-2-en-1-one
CID 166025092
3-benzylbuta-1,3-dien-1-one
CID 142401977
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
(2E)-4-benzylpenta-2,4-dienal
CID 146162292
1-[(1E)-3-benzylbuta-1,3-dienyl]-4-methylbenzene
CID 102460258
2-methylidenebutylbenzene
CID 10964655
3-methyl-4-phenylbut-2-enoic acid
CID 22414
(E)-3-methyl-4-phenylbut-2-enoic acid
CID 6369541
1-phenylpropane-2-thione
CID 19915653
benzene;1-phenylpropan-2-one
CID 21430852

Frequently Asked Questions

What is the IUPAC name of [(3Z)-4,5-dimethyl-2-methylidenehexa-3,5-dienyl]benzene?
The IUPAC name of [(3Z)-4,5-dimethyl-2-methylidenehexa-3,5-dienyl]benzene (CID 143856849) is [(3Z)-4,5-dimethyl-2-methylidenehexa-3,5-dienyl]benzene.
What is the SMILES notation for [(3Z)-4,5-dimethyl-2-methylidenehexa-3,5-dienyl]benzene?
The canonical SMILES for [(3Z)-4,5-dimethyl-2-methylidenehexa-3,5-dienyl]benzene is C=C(/C=C(/C)C(=C)C)Cc1ccccc1.
What is the InChIKey of [(3Z)-4,5-dimethyl-2-methylidenehexa-3,5-dienyl]benzene?
The InChIKey is WWEAJULMOQHZCZ-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H18/c1-12(2)14(4)10-13(3)11-15-8-6-5-7-9-15/h5-10H,1,3,11H2,2,4H3/b14-10-.
What are the key properties of [(3Z)-4,5-dimethyl-2-methylidenehexa-3,5-dienyl]benzene?
[(3Z)-4,5-dimethyl-2-methylidenehexa-3,5-dienyl]benzene has a molecular weight of 198.31 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-4,5-dimethyl-2-methylidenehexa-3,5-dienyl]benzene is sourced from PubChem (CID 143856849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).