2-[(3E,7Z)-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-yl]cyclohexa-1,3-diene

C19H22 — CID 159233794

IUPAC2-[(3E,7Z)-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-yl]cyclohexa-1,3-diene
SMILESC=C/C=C\C(=C)C(C1=CCCC=C1)/C(C=C)=C/C=C
InChIInChI=1S/C19H22/c1-5-8-13-16(4)19(17(7-3)12-6-2)18-14-10-9-11-15-18/h5-8,10,12-15,19H,1-4,9,11H2/b13-8-,17-12+
InChIKeyKTFKYQBNAZONPD-VGKJPCQPSA-N
MW250.38 g/mol
LogP5.48
Rot. Bonds7

About 2-[(3E,7Z)-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-yl]cyclohexa-1,3-diene

2-[(3E,7Z)-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-yl]cyclohexa-1,3-diene (PubChem CID 159233794) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-[(3E,7Z)-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[(3E,7Z)-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-yl]cyclohexa-1,3-diene
PubChem CID159233794
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name2-[(3E,7Z)-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-yl]cyclohexa-1,3-diene
SMILESC=C/C=C\C(=C)C(C1=CCCC=C1)/C(C=C)=C/C=C
InChIInChI=1S/C19H22/c1-5-8-13-16(4)19(17(7-3)12-6-2)18-14-10-9-11-15-18/h5-8,10,12-15,19H,1-4,9,11H2/b13-8-,17-12+
InChIKeyKTFKYQBNAZONPD-VGKJPCQPSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.48
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

2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclohexa-1,3-diene
CID 142158229
2-[(3Z)-hexa-3,5-dien-2-yl]cyclohexa-1,3-diene
CID 145269063
[(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 144537021
(1R)-2-[[(3E,5E)-6-aminoocta-3,5,7-trienyl]amino]-1-cyclohexa-1,5-dien-1-ylethanol
CID 135129031
(1R)-1-cyclohexa-1,5-dien-1-ylethanol
CID 101132775
(4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol
CID 142139727
2-[(1Z)-3-methylidenepenta-1,4-dienyl]cyclohexa-1,3-diene
CID 143984358
1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene
CID 143808839
(3E,6E,7Z)-3-cyclohexa-1,5-dien-1-yl-6-ethylidenedeca-1,3,7,9-tetraen-5-imine
CID 144726128
6-bromo-5-methylidenehepta-1,3-diene
CID 123730228
N-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-(methylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 176676763
(2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid
CID 57236627

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,7Z)-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-yl]cyclohexa-1,3-diene?
The IUPAC name of 2-[(3E,7Z)-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-yl]cyclohexa-1,3-diene (CID 159233794) is 2-[(3E,7Z)-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 2-[(3E,7Z)-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-yl]cyclohexa-1,3-diene?
The canonical SMILES for 2-[(3E,7Z)-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-yl]cyclohexa-1,3-diene is C=C/C=C\C(=C)C(C1=CCCC=C1)/C(C=C)=C/C=C.
What is the InChIKey of 2-[(3E,7Z)-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-yl]cyclohexa-1,3-diene?
The InChIKey is KTFKYQBNAZONPD-VGKJPCQPSA-N. The full InChI is InChI=1S/C19H22/c1-5-8-13-16(4)19(17(7-3)12-6-2)18-14-10-9-11-15-18/h5-8,10,12-15,19H,1-4,9,11H2/b13-8-,17-12+.
What are the key properties of 2-[(3E,7Z)-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-yl]cyclohexa-1,3-diene?
2-[(3E,7Z)-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-yl]cyclohexa-1,3-diene has a molecular weight of 250.38 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,7Z)-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 159233794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).