5-methylideneocta-1,3,7-trienylbenzene

C15H16 — CID 173155039

IUPAC5-methylideneocta-1,3,7-trienylbenzene
SMILESC=CCC(=C)C=CC=Cc1ccccc1
InChIInChI=1S/C15H16/c1-3-9-14(2)10-7-8-13-15-11-5-4-6-12-15/h3-8,10-13H,1-2,9H2
InChIKeyHCGRVRQJVBMJRX-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.39
Rot. Bonds5

About 5-methylideneocta-1,3,7-trienylbenzene

5-methylideneocta-1,3,7-trienylbenzene (PubChem CID 173155039) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-methylideneocta-1,3,7-trienylbenzene.

Molecular Properties

Compound Name5-methylideneocta-1,3,7-trienylbenzene
PubChem CID173155039
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name5-methylideneocta-1,3,7-trienylbenzene
SMILESC=CCC(=C)C=CC=Cc1ccccc1
InChIInChI=1S/C15H16/c1-3-9-14(2)10-7-8-13-15-11-5-4-6-12-15/h3-8,10-13H,1-2,9H2
InChIKeyHCGRVRQJVBMJRX-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.39
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

3-methylidenehexa-1,5-dienylbenzene
CID 91462771
(5E,7E)-8-phenylocta-1,5,7-trien-4-one
CID 100937640
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
7-phenylhepta-1,4,6-trien-3-one
CID 85345780
(5E,7E)-3-methylidene-8-phenylocta-1,5,7-trien-4-one
CID 142085099
ethene;5-phenylpenta-2,4-dienoic acid
CID 161205053
(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione
CID 6152775
(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
CID 51568438
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
3-methylidenehepta-1,5-dienylbenzene
CID 90998971
hexa-1,3,5-trienylbenzene;5-phenylpenta-2,4-dienoic acid
CID 87104089

Frequently Asked Questions

What is the IUPAC name of 5-methylideneocta-1,3,7-trienylbenzene?
The IUPAC name of 5-methylideneocta-1,3,7-trienylbenzene (CID 173155039) is 5-methylideneocta-1,3,7-trienylbenzene.
What is the SMILES notation for 5-methylideneocta-1,3,7-trienylbenzene?
The canonical SMILES for 5-methylideneocta-1,3,7-trienylbenzene is C=CCC(=C)C=CC=Cc1ccccc1.
What is the InChIKey of 5-methylideneocta-1,3,7-trienylbenzene?
The InChIKey is HCGRVRQJVBMJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-3-9-14(2)10-7-8-13-15-11-5-4-6-12-15/h3-8,10-13H,1-2,9H2.
What are the key properties of 5-methylideneocta-1,3,7-trienylbenzene?
5-methylideneocta-1,3,7-trienylbenzene has a molecular weight of 196.29 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylideneocta-1,3,7-trienylbenzene is sourced from PubChem (CID 173155039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).