1-cyclohexa-1,3-dien-1-yl-4-[(E)-hept-3-en-3-yl]cyclohexa-1,3-diene

C19H26 — CID 142551291

IUPAC1-cyclohexa-1,3-dien-1-yl-4-[(E)-hept-3-en-3-yl]cyclohexa-1,3-diene
SMILESCCC/C=C(\CC)C1=CC=C(C2=CC=CCC2)CC1
InChIInChI=1S/C19H26/c1-3-5-9-16(4-2)18-12-14-19(15-13-18)17-10-7-6-8-11-17/h6-7,9-10,12,14H,3-5,8,11,13,15H2,1-2H3/b16-9+
InChIKeyGYAWZJCUTGSTBJ-CXUHLZMHSA-N
MW254.42 g/mol
LogP6.05
Rot. Bonds5

About 1-cyclohexa-1,3-dien-1-yl-4-[(E)-hept-3-en-3-yl]cyclohexa-1,3-diene

1-cyclohexa-1,3-dien-1-yl-4-[(E)-hept-3-en-3-yl]cyclohexa-1,3-diene (PubChem CID 142551291) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-4-[(E)-hept-3-en-3-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-4-[(E)-hept-3-en-3-yl]cyclohexa-1,3-diene
PubChem CID142551291
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name1-cyclohexa-1,3-dien-1-yl-4-[(E)-hept-3-en-3-yl]cyclohexa-1,3-diene
SMILESCCC/C=C(\CC)C1=CC=C(C2=CC=CCC2)CC1
InChIInChI=1S/C19H26/c1-3-5-9-16(4-2)18-12-14-19(15-13-18)17-10-7-6-8-11-17/h6-7,9-10,12,14H,3-5,8,11,13,15H2,1-2H3/b16-9+
InChIKeyGYAWZJCUTGSTBJ-CXUHLZMHSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene;propane
CID 156750988
[4-[5-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)hexa-1,5-dien-2-yl]cyclohexa-1,3-dien-1-yl]phosphane;ethane
CID 144736948
1-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-(2-hydroxyethylamino)-2-methylpropan-1-one
CID 123985518
cyclohexa-1,3-dien-1-yl-[4-(4-ethylphenyl)cyclohexa-1,3-dien-1-yl]methanone
CID 66920697
1-[(3E)-hepta-1,3-dien-4-yl]cyclohexa-1,3-diene
CID 142474101
1-[(E)-3-ethylhept-3-enyl]cyclohexa-1,3-diene;1-methylcyclopentene
CID 143963290
(Z)-1-cyclohexa-1,3-dien-1-yl-3-(2-methylphenyl)pent-2-en-1-imine
CID 160944835
1-fluoro-4-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene
CID 89331697
cyclohexa-1,3-dien-1-ol;ethane;propane
CID 143588772
1-cyclohexa-1,3-dien-1-yl-4-ethoxybenzene
CID 145107392
1,4-bis[(E)-hept-2-en-2-yl]cyclohexa-1,3-diene;ethane
CID 163402513
2,6'-di(cyclohexa-1,3-dien-1-yl)-2'-(2-cyclohexa-1,3-dien-1-ylbut-1-enyl)-3'-methyl-7-phenylspiro[fluorene-9,1'-indene]
CID 91179453

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-[(E)-hept-3-en-3-yl]cyclohexa-1,3-diene?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-[(E)-hept-3-en-3-yl]cyclohexa-1,3-diene (CID 142551291) is 1-cyclohexa-1,3-dien-1-yl-4-[(E)-hept-3-en-3-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-4-[(E)-hept-3-en-3-yl]cyclohexa-1,3-diene?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-4-[(E)-hept-3-en-3-yl]cyclohexa-1,3-diene is CCC/C=C(\CC)C1=CC=C(C2=CC=CCC2)CC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-4-[(E)-hept-3-en-3-yl]cyclohexa-1,3-diene?
The InChIKey is GYAWZJCUTGSTBJ-CXUHLZMHSA-N. The full InChI is InChI=1S/C19H26/c1-3-5-9-16(4-2)18-12-14-19(15-13-18)17-10-7-6-8-11-17/h6-7,9-10,12,14H,3-5,8,11,13,15H2,1-2H3/b16-9+.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-4-[(E)-hept-3-en-3-yl]cyclohexa-1,3-diene?
1-cyclohexa-1,3-dien-1-yl-4-[(E)-hept-3-en-3-yl]cyclohexa-1,3-diene has a molecular weight of 254.42 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-4-[(E)-hept-3-en-3-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 142551291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).