4-cyclohexa-1,3-dien-1-yl-1-methyl-2-[(1Z,3Z)-2-methylpenta-1,3-dienyl]benzene

C19H22 — CID 144984728

IUPAC4-cyclohexa-1,3-dien-1-yl-1-methyl-2-[(1Z,3Z)-2-methylpenta-1,3-dienyl]benzene
SMILESC/C=C\C(C)=C/c1cc(C2=CC=CCC2)ccc1C
InChIInChI=1S/C19H22/c1-4-8-15(2)13-19-14-18(12-11-16(19)3)17-9-6-5-7-10-17/h4-6,8-9,11-14H,7,10H2,1-3H3/b8-4-,15-13-
InChIKeyRRFIGXXTYCJVAG-VHWCTUGSSA-N
MW250.38 g/mol
LogP5.71
Rot. Bonds3

About 4-cyclohexa-1,3-dien-1-yl-1-methyl-2-[(1Z,3Z)-2-methylpenta-1,3-dienyl]benzene

4-cyclohexa-1,3-dien-1-yl-1-methyl-2-[(1Z,3Z)-2-methylpenta-1,3-dienyl]benzene (PubChem CID 144984728) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yl-1-methyl-2-[(1Z,3Z)-2-methylpenta-1,3-dienyl]benzene.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yl-1-methyl-2-[(1Z,3Z)-2-methylpenta-1,3-dienyl]benzene
PubChem CID144984728
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name4-cyclohexa-1,3-dien-1-yl-1-methyl-2-[(1Z,3Z)-2-methylpenta-1,3-dienyl]benzene
SMILESC/C=C\C(C)=C/c1cc(C2=CC=CCC2)ccc1C
InChIInChI=1S/C19H22/c1-4-8-15(2)13-19-14-18(12-11-16(19)3)17-9-6-5-7-10-17/h4-6,8-9,11-14H,7,10H2,1-3H3/b8-4-,15-13-
InChIKeyRRFIGXXTYCJVAG-VHWCTUGSSA-N
XLogP5.71
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 ≤ 55.71
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-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene
CID 143516751
2-[4-[(E)-2-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]prop-1-enyl]-3-methylphenyl]naphthalene;ethane
CID 144659778
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
4-cyclohexa-1,3-dien-1-ylbenzaldehyde
CID 89145336
1-cyclohexa-1,3-dien-1-yl-4-ethoxybenzene
CID 145107392
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
2-(5-cyclohexa-1,3-dien-1-yl-2-methylphenyl)dibenzothiophene
CID 129266980
3-[(5-cyclohexa-1,3-dien-1-yl-2-methylphenyl)methyl]phenanthrene
CID 123966745
[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]-trimethylsilane
CID 174151682
[4-[4-[4-[4-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 174151684
2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene
CID 142381891
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 143269273

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-yl-1-methyl-2-[(1Z,3Z)-2-methylpenta-1,3-dienyl]benzene?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yl-1-methyl-2-[(1Z,3Z)-2-methylpenta-1,3-dienyl]benzene (CID 144984728) is 4-cyclohexa-1,3-dien-1-yl-1-methyl-2-[(1Z,3Z)-2-methylpenta-1,3-dienyl]benzene.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yl-1-methyl-2-[(1Z,3Z)-2-methylpenta-1,3-dienyl]benzene?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yl-1-methyl-2-[(1Z,3Z)-2-methylpenta-1,3-dienyl]benzene is C/C=C\C(C)=C/c1cc(C2=CC=CCC2)ccc1C.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yl-1-methyl-2-[(1Z,3Z)-2-methylpenta-1,3-dienyl]benzene?
The InChIKey is RRFIGXXTYCJVAG-VHWCTUGSSA-N. The full InChI is InChI=1S/C19H22/c1-4-8-15(2)13-19-14-18(12-11-16(19)3)17-9-6-5-7-10-17/h4-6,8-9,11-14H,7,10H2,1-3H3/b8-4-,15-13-.
What are the key properties of 4-cyclohexa-1,3-dien-1-yl-1-methyl-2-[(1Z,3Z)-2-methylpenta-1,3-dienyl]benzene?
4-cyclohexa-1,3-dien-1-yl-1-methyl-2-[(1Z,3Z)-2-methylpenta-1,3-dienyl]benzene has a molecular weight of 250.38 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-yl-1-methyl-2-[(1Z,3Z)-2-methylpenta-1,3-dienyl]benzene is sourced from PubChem (CID 144984728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).