(5E,6E)-5-[(3E)-3,6-dimethylhepta-3,5-dien-2-ylidene]-6-[(3E)-3-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)butan-2-ylidene]cyclohexa-1,3-diene

C28H34 — CID 142173952

IUPAC(5E,6E)-5-[(3E)-3,6-dimethylhepta-3,5-dien-2-ylidene]-6-[(3E)-3-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)butan-2-ylidene]cyclohexa-1,3-diene
SMILESCC(C)=C/C=C(C)/C(C)=c1\cccc\c1=C(C)/C(C)=c1\ccccc1=C(C)C
InChIInChI=1S/C28H34/c1-19(2)17-18-21(5)22(6)26-14-11-12-16-28(26)24(8)23(7)27-15-10-9-13-25(27)20(3)4/h9-18H,1-8H3/b21-18+,26-22+,27-23+,28-24+
InChIKeyIGZDKQBTSIIYBL-SAOVRRBFSA-N
MW370.58 g/mol
LogP5.00
Rot. Bonds3

About (5E,6E)-5-[(3E)-3,6-dimethylhepta-3,5-dien-2-ylidene]-6-[(3E)-3-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)butan-2-ylidene]cyclohexa-1,3-diene

(5E,6E)-5-[(3E)-3,6-dimethylhepta-3,5-dien-2-ylidene]-6-[(3E)-3-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)butan-2-ylidene]cyclohexa-1,3-diene (PubChem CID 142173952) has the molecular formula C28H34 and a molecular weight of 370.58 g/mol. Its IUPAC name is (5E,6E)-5-[(3E)-3,6-dimethylhepta-3,5-dien-2-ylidene]-6-[(3E)-3-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)butan-2-ylidene]cyclohexa-1,3-diene.

Molecular Properties

Compound Name(5E,6E)-5-[(3E)-3,6-dimethylhepta-3,5-dien-2-ylidene]-6-[(3E)-3-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)butan-2-ylidene]cyclohexa-1,3-diene
PubChem CID142173952
Molecular FormulaC28H34
Molecular Weight370.58 g/mol
Exact Mass370.27
IUPAC Name(5E,6E)-5-[(3E)-3,6-dimethylhepta-3,5-dien-2-ylidene]-6-[(3E)-3-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)butan-2-ylidene]cyclohexa-1,3-diene
SMILESCC(C)=C/C=C(C)/C(C)=c1\cccc\c1=C(C)/C(C)=c1\ccccc1=C(C)C
InChIInChI=1S/C28H34/c1-19(2)17-18-21(5)22(6)26-14-11-12-16-28(26)24(8)23(7)27-15-10-9-13-25(27)20(3)4/h9-18H,1-8H3/b21-18+,26-22+,27-23+,28-24+
InChIKeyIGZDKQBTSIIYBL-SAOVRRBFSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (5E,6E)-5-[(3E)-3,6-dimethylhepta-3,5-dien-2-ylidene]-6-[(3E)-3-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)butan-2-ylidene]cyclohexa-1,3-diene with MolForge

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Related Compounds

5,6-di(propan-2-ylidene)cyclohexa-1,3-diene;ethane
CID 143829864
(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine
CID 143300629
4-methylpenta-1,3-dienylbenzene
CID 3614395
(2E)-2-methyl-1-phenylpenta-2,4-dien-1-one
CID 134395022
1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene
CID 174069312
(2E)-2,5-dimethylhexa-2,4-dienoic acid
CID 18632121
(Z)-2-methyl-3-phenylprop-2-enoyl chloride
CID 5355069
(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine
CID 6738838
[(2E)-5-methylhexa-2,4-dien-2-yl]-bis(4-methylphenyl)sulfanium
CID 58734613
1-bromo-2,5-dimethylhexa-2,4-diene
CID 54073792
[(1R,2R)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclopropyl]benzene
CID 11672948
methyl (2Z)-2-methyl-5,5-diphenylpenta-2,4-dienoate
CID 18740011

Frequently Asked Questions

What is the IUPAC name of (5E,6E)-5-[(3E)-3,6-dimethylhepta-3,5-dien-2-ylidene]-6-[(3E)-3-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)butan-2-ylidene]cyclohexa-1,3-diene?
The IUPAC name of (5E,6E)-5-[(3E)-3,6-dimethylhepta-3,5-dien-2-ylidene]-6-[(3E)-3-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)butan-2-ylidene]cyclohexa-1,3-diene (CID 142173952) is (5E,6E)-5-[(3E)-3,6-dimethylhepta-3,5-dien-2-ylidene]-6-[(3E)-3-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)butan-2-ylidene]cyclohexa-1,3-diene.
What is the SMILES notation for (5E,6E)-5-[(3E)-3,6-dimethylhepta-3,5-dien-2-ylidene]-6-[(3E)-3-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)butan-2-ylidene]cyclohexa-1,3-diene?
The canonical SMILES for (5E,6E)-5-[(3E)-3,6-dimethylhepta-3,5-dien-2-ylidene]-6-[(3E)-3-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)butan-2-ylidene]cyclohexa-1,3-diene is CC(C)=C/C=C(C)/C(C)=c1\cccc\c1=C(C)/C(C)=c1\ccccc1=C(C)C.
What is the InChIKey of (5E,6E)-5-[(3E)-3,6-dimethylhepta-3,5-dien-2-ylidene]-6-[(3E)-3-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)butan-2-ylidene]cyclohexa-1,3-diene?
The InChIKey is IGZDKQBTSIIYBL-SAOVRRBFSA-N. The full InChI is InChI=1S/C28H34/c1-19(2)17-18-21(5)22(6)26-14-11-12-16-28(26)24(8)23(7)27-15-10-9-13-25(27)20(3)4/h9-18H,1-8H3/b21-18+,26-22+,27-23+,28-24+.
What are the key properties of (5E,6E)-5-[(3E)-3,6-dimethylhepta-3,5-dien-2-ylidene]-6-[(3E)-3-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)butan-2-ylidene]cyclohexa-1,3-diene?
(5E,6E)-5-[(3E)-3,6-dimethylhepta-3,5-dien-2-ylidene]-6-[(3E)-3-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)butan-2-ylidene]cyclohexa-1,3-diene has a molecular weight of 370.58 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-5-[(3E)-3,6-dimethylhepta-3,5-dien-2-ylidene]-6-[(3E)-3-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)butan-2-ylidene]cyclohexa-1,3-diene is sourced from PubChem (CID 142173952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).