1-[(2Z,4Z)-hexa-2,4-dien-3-yl]-3-methyl-5-phenylcyclohexa-1,3-diene

C19H22 — CID 145129881

IUPAC1-[(2Z,4Z)-hexa-2,4-dien-3-yl]-3-methyl-5-phenylcyclohexa-1,3-diene
SMILESC/C=C\C(=C\C)C1=CC(C)=CC(c2ccccc2)C1
InChIInChI=1S/C19H22/c1-4-9-16(5-2)18-12-15(3)13-19(14-18)17-10-7-6-8-11-17/h4-13,19H,14H2,1-3H3/b9-4-,16-5-
InChIKeyBHJZNJFDSQTJKY-PSMCUYTRSA-N
MW250.38 g/mol
LogP5.57
Rot. Bonds3

About 1-[(2Z,4Z)-hexa-2,4-dien-3-yl]-3-methyl-5-phenylcyclohexa-1,3-diene

1-[(2Z,4Z)-hexa-2,4-dien-3-yl]-3-methyl-5-phenylcyclohexa-1,3-diene (PubChem CID 145129881) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-[(2Z,4Z)-hexa-2,4-dien-3-yl]-3-methyl-5-phenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-[(2Z,4Z)-hexa-2,4-dien-3-yl]-3-methyl-5-phenylcyclohexa-1,3-diene
PubChem CID145129881
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name1-[(2Z,4Z)-hexa-2,4-dien-3-yl]-3-methyl-5-phenylcyclohexa-1,3-diene
SMILESC/C=C\C(=C\C)C1=CC(C)=CC(c2ccccc2)C1
InChIInChI=1S/C19H22/c1-4-9-16(5-2)18-12-15(3)13-19(14-18)17-10-7-6-8-11-17/h4-13,19H,14H2,1-3H3/b9-4-,16-5-
InChIKeyBHJZNJFDSQTJKY-PSMCUYTRSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.57
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

1-fluoro-3-methyl-5-phenylcyclohexa-1,3-diene
CID 163813162
1-[(2R)-2-phenylaziridin-1-yl]but-2-en-1-one
CID 123139269
2,6-dimethyl-4-phenyl-3,4-dihydropyridine
CID 57025415
(4S,5R)-3-[(E)-but-2-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11806905
(4R,5R)-3-but-2-enoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 91169232
(2Z,4E)-3-phenylhexa-2,4-dienoic acid
CID 10397589
2,4-diphenylcyclopent-2-en-1-one
CID 14147527
(E)-3-benzhydrylidenehex-4-en-2-one
CID 101384989
ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390494
(Z)-N-methyl-1-(6-methyl-2-phenyl-1,2,5,6-tetrahydropyrimidin-4-yl)but-2-en-1-imine
CID 134316347
2-[(3E)-hexa-1,3,5-trien-3-yl]-6-(4-methylcyclohexa-2,4-dien-1-yl)-4-phenyl-3,4-dihydropyridine
CID 144588750
ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene
CID 145073107

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,4Z)-hexa-2,4-dien-3-yl]-3-methyl-5-phenylcyclohexa-1,3-diene?
The IUPAC name of 1-[(2Z,4Z)-hexa-2,4-dien-3-yl]-3-methyl-5-phenylcyclohexa-1,3-diene (CID 145129881) is 1-[(2Z,4Z)-hexa-2,4-dien-3-yl]-3-methyl-5-phenylcyclohexa-1,3-diene.
What is the SMILES notation for 1-[(2Z,4Z)-hexa-2,4-dien-3-yl]-3-methyl-5-phenylcyclohexa-1,3-diene?
The canonical SMILES for 1-[(2Z,4Z)-hexa-2,4-dien-3-yl]-3-methyl-5-phenylcyclohexa-1,3-diene is C/C=C\C(=C\C)C1=CC(C)=CC(c2ccccc2)C1.
What is the InChIKey of 1-[(2Z,4Z)-hexa-2,4-dien-3-yl]-3-methyl-5-phenylcyclohexa-1,3-diene?
The InChIKey is BHJZNJFDSQTJKY-PSMCUYTRSA-N. The full InChI is InChI=1S/C19H22/c1-4-9-16(5-2)18-12-15(3)13-19(14-18)17-10-7-6-8-11-17/h4-13,19H,14H2,1-3H3/b9-4-,16-5-.
What are the key properties of 1-[(2Z,4Z)-hexa-2,4-dien-3-yl]-3-methyl-5-phenylcyclohexa-1,3-diene?
1-[(2Z,4Z)-hexa-2,4-dien-3-yl]-3-methyl-5-phenylcyclohexa-1,3-diene has a molecular weight of 250.38 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4Z)-hexa-2,4-dien-3-yl]-3-methyl-5-phenylcyclohexa-1,3-diene is sourced from PubChem (CID 145129881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).