[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene

C14H16 — CID 153494817

IUPAC[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene
SMILESC=C(/C=C\C)/C(=C\C)c1ccccc1
InChIInChI=1S/C14H16/c1-4-9-12(3)14(5-2)13-10-7-6-8-11-13/h4-11H,3H2,1-2H3/b9-4-,14-5+
InChIKeyBQVVGWWIBJGEPX-RUXGZBGUSA-N
MW184.28 g/mol
LogP4.22
Rot. Bonds3

About [(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene

[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene (PubChem CID 153494817) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is [(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene.

Molecular Properties

Compound Name[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene
PubChem CID153494817
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene
SMILESC=C(/C=C\C)/C(=C\C)c1ccccc1
InChIInChI=1S/C14H16/c1-4-9-12(3)14(5-2)13-10-7-6-8-11-13/h4-11H,3H2,1-2H3/b9-4-,14-5+
InChIKeyBQVVGWWIBJGEPX-RUXGZBGUSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.22
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

4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592
[(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene
CID 142604894
[(3Z)-2-iodopenta-1,3-dien-3-yl]benzene
CID 125477418
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
(3E)-2-phenylpenta-1,3-dien-3-ol
CID 126638860
ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene
CID 145063911
1-phenylethenyl but-2-enoate
CID 68623165
ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene
CID 143592596
2-phenylbut-2-enoate
CID 4099750
(E)-2-phenylbut-2-enethioamide
CID 158611292
(E)-2-phenylbut-2-enoate
CID 6379118
(2E,4Z,6Z)-4-phenylocta-2,4,6-trien-3-amine
CID 167165568

Frequently Asked Questions

What is the IUPAC name of [(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene?
The IUPAC name of [(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene (CID 153494817) is [(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene.
What is the SMILES notation for [(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene?
The canonical SMILES for [(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene is C=C(/C=C\C)/C(=C\C)c1ccccc1.
What is the InChIKey of [(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene?
The InChIKey is BQVVGWWIBJGEPX-RUXGZBGUSA-N. The full InChI is InChI=1S/C14H16/c1-4-9-12(3)14(5-2)13-10-7-6-8-11-13/h4-11H,3H2,1-2H3/b9-4-,14-5+.
What are the key properties of [(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene?
[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene has a molecular weight of 184.28 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene is sourced from PubChem (CID 153494817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).