(2Z)-2-[(E,2E)-2-ethylidene-6-iodo-3-methylideneoct-6-enylidene]-1,1-dimethyl-3-methylideneindene

C23H27I — CID 89170477

IUPAC(2Z)-2-[(E,2E)-2-ethylidene-6-iodo-3-methylideneoct-6-enylidene]-1,1-dimethyl-3-methylideneindene
SMILESC=C(CC/C(I)=C\C)C(/C=C1\C(=C)c2ccccc2C1(C)C)=C/C
InChIInChI=1S/C23H27I/c1-7-18(16(3)13-14-19(24)8-2)15-22-17(4)20-11-9-10-12-21(20)23(22,5)6/h7-12,15H,3-4,13-14H2,1-2,5-6H3/b18-7+,19-8+,22-15+
InChIKeyQTSMZLHLAFUBLY-SHKGIAMESA-N
MW430.37 g/mol
LogP7.54
Rot. Bonds5

About (2Z)-2-[(E,2E)-2-ethylidene-6-iodo-3-methylideneoct-6-enylidene]-1,1-dimethyl-3-methylideneindene

(2Z)-2-[(E,2E)-2-ethylidene-6-iodo-3-methylideneoct-6-enylidene]-1,1-dimethyl-3-methylideneindene (PubChem CID 89170477) has the molecular formula C23H27I and a molecular weight of 430.37 g/mol. Its IUPAC name is (2Z)-2-[(E,2E)-2-ethylidene-6-iodo-3-methylideneoct-6-enylidene]-1,1-dimethyl-3-methylideneindene.

Molecular Properties

Compound Name(2Z)-2-[(E,2E)-2-ethylidene-6-iodo-3-methylideneoct-6-enylidene]-1,1-dimethyl-3-methylideneindene
PubChem CID89170477
Molecular FormulaC23H27I
Molecular Weight430.37 g/mol
Exact Mass430.12
IUPAC Name(2Z)-2-[(E,2E)-2-ethylidene-6-iodo-3-methylideneoct-6-enylidene]-1,1-dimethyl-3-methylideneindene
SMILESC=C(CC/C(I)=C\C)C(/C=C1\C(=C)c2ccccc2C1(C)C)=C/C
InChIInChI=1S/C23H27I/c1-7-18(16(3)13-14-19(24)8-2)15-22-17(4)20-11-9-10-12-21(20)23(22,5)6/h7-12,15H,3-4,13-14H2,1-2,5-6H3/b18-7+,19-8+,22-15+
InChIKeyQTSMZLHLAFUBLY-SHKGIAMESA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.37
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethyl-2,3-dimethylideneindene;(E)-pent-2-ene
CID 143620330
(2Z,3E)-3-ethylidene-1,1-dimethyl-2-(2-methylprop-2-enylidene)indene
CID 143938225
2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene
CID 59027683
N-[(E,1Z)-1-(1,1-dimethyl-3-methylideneinden-2-ylidene)but-2-en-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine
CID 166973907
9-methyl-9-prop-1-en-2-ylfluorene
CID 10911089
ethane;(2'E)-3'-methylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]
CID 144995152
(2E)-3-methylidene-2-(3-methyl-2-methylidenebutylidene)spiro[indene-1,9'-xanthene]
CID 142611509
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
3-buta-1,3-dien-2-yl-9,9-dimethylfluorene;methoxymethane
CID 153369649
N-buta-1,3-dien-2-yl-9,9-dimethylfluoren-3-amine
CID 135227648
1-fluoro-9,9-dimethyl-10-methylidene-5-[(Z)-1-phenylprop-1-enyl]anthracene
CID 135208021
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-7-hexa-1,4-dien-2-yl-9,9-dimethylfluorene
CID 123148254

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E,2E)-2-ethylidene-6-iodo-3-methylideneoct-6-enylidene]-1,1-dimethyl-3-methylideneindene?
The IUPAC name of (2Z)-2-[(E,2E)-2-ethylidene-6-iodo-3-methylideneoct-6-enylidene]-1,1-dimethyl-3-methylideneindene (CID 89170477) is (2Z)-2-[(E,2E)-2-ethylidene-6-iodo-3-methylideneoct-6-enylidene]-1,1-dimethyl-3-methylideneindene.
What is the SMILES notation for (2Z)-2-[(E,2E)-2-ethylidene-6-iodo-3-methylideneoct-6-enylidene]-1,1-dimethyl-3-methylideneindene?
The canonical SMILES for (2Z)-2-[(E,2E)-2-ethylidene-6-iodo-3-methylideneoct-6-enylidene]-1,1-dimethyl-3-methylideneindene is C=C(CC/C(I)=C\C)C(/C=C1\C(=C)c2ccccc2C1(C)C)=C/C.
What is the InChIKey of (2Z)-2-[(E,2E)-2-ethylidene-6-iodo-3-methylideneoct-6-enylidene]-1,1-dimethyl-3-methylideneindene?
The InChIKey is QTSMZLHLAFUBLY-SHKGIAMESA-N. The full InChI is InChI=1S/C23H27I/c1-7-18(16(3)13-14-19(24)8-2)15-22-17(4)20-11-9-10-12-21(20)23(22,5)6/h7-12,15H,3-4,13-14H2,1-2,5-6H3/b18-7+,19-8+,22-15+.
What are the key properties of (2Z)-2-[(E,2E)-2-ethylidene-6-iodo-3-methylideneoct-6-enylidene]-1,1-dimethyl-3-methylideneindene?
(2Z)-2-[(E,2E)-2-ethylidene-6-iodo-3-methylideneoct-6-enylidene]-1,1-dimethyl-3-methylideneindene has a molecular weight of 430.37 g/mol, XLogP of 7.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E,2E)-2-ethylidene-6-iodo-3-methylideneoct-6-enylidene]-1,1-dimethyl-3-methylideneindene is sourced from PubChem (CID 89170477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).