(2Z)-6-iodo-1,1-dimethyl-3-prop-2-enylidene-2-propylideneindene

C17H19I — CID 173486701

IUPAC(2Z)-6-iodo-1,1-dimethyl-3-prop-2-enylidene-2-propylideneindene
SMILESC=CC=C1/C(=C\CC)C(C)(C)c2cc(I)ccc21
InChIInChI=1S/C17H19I/c1-5-7-13-14-10-9-12(18)11-16(14)17(3,4)15(13)8-6-2/h5,7-11H,1,6H2,2-4H3/b13-7?,15-8+
InChIKeyGXTMMCBNVVQPEA-GBSXSVLBSA-N
MW350.24 g/mol
LogP5.49
Rot. Bonds2

About (2Z)-6-iodo-1,1-dimethyl-3-prop-2-enylidene-2-propylideneindene

(2Z)-6-iodo-1,1-dimethyl-3-prop-2-enylidene-2-propylideneindene (PubChem CID 173486701) has the molecular formula C17H19I and a molecular weight of 350.24 g/mol. Its IUPAC name is (2Z)-6-iodo-1,1-dimethyl-3-prop-2-enylidene-2-propylideneindene.

Molecular Properties

Compound Name(2Z)-6-iodo-1,1-dimethyl-3-prop-2-enylidene-2-propylideneindene
PubChem CID173486701
Molecular FormulaC17H19I
Molecular Weight350.24 g/mol
Exact Mass350.05
IUPAC Name(2Z)-6-iodo-1,1-dimethyl-3-prop-2-enylidene-2-propylideneindene
SMILESC=CC=C1/C(=C\CC)C(C)(C)c2cc(I)ccc21
InChIInChI=1S/C17H19I/c1-5-7-13-14-10-9-12(18)11-16(14)17(3,4)15(13)8-6-2/h5,7-11H,1,6H2,2-4H3/b13-7?,15-8+
InChIKeyGXTMMCBNVVQPEA-GBSXSVLBSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.24
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-ethenyl-6-iodo-1,1-dimethyl-2-propylindene
CID 89170468
1-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-prop-2-enylideneinden-5-yl]-2,3-dihydronaphthalene
CID 173487010
2-[(2Z)-2-(2-iodoethylidene)-3,3-dimethyl-1-propylideneinden-5-yl]naphthalene
CID 173486134
2-[(3E,5Z)-hepta-3,5-dien-3-yl]-7-iodo-9,9-dimethylfluorene
CID 89176800
(2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene
CID 143227246
4-[(1E)-3,3-dimethyl-2-methylidene-1-prop-2-enylideneinden-5-yl]pyridine
CID 144604812
(2Z,3E)-2-but-3-enylidene-1,1,6-trimethyl-3-(2-methylbut-3-enylidene)indene;ethane
CID 143227245
9-[(2Z)-2-[(3E)-1,1-dimethyl-6-naphthalen-1-yl-3-prop-2-enylideneinden-2-ylidene]ethyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 145280720
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-7-iodo-9,9-dimethylfluorene
CID 89176944
3-(2,7-diiodo-9-methylfluoren-9-yl)propan-1-ol
CID 58388444
2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene
CID 59027683
N-(9,9-dimethylfluoren-2-yl)-N-[(1E)-3,3-dimethyl-2-methylidene-1-propylideneinden-5-yl]-9,9-dimethylfluoren-2-amine
CID 88942744

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-iodo-1,1-dimethyl-3-prop-2-enylidene-2-propylideneindene?
The IUPAC name of (2Z)-6-iodo-1,1-dimethyl-3-prop-2-enylidene-2-propylideneindene (CID 173486701) is (2Z)-6-iodo-1,1-dimethyl-3-prop-2-enylidene-2-propylideneindene.
What is the SMILES notation for (2Z)-6-iodo-1,1-dimethyl-3-prop-2-enylidene-2-propylideneindene?
The canonical SMILES for (2Z)-6-iodo-1,1-dimethyl-3-prop-2-enylidene-2-propylideneindene is C=CC=C1/C(=C\CC)C(C)(C)c2cc(I)ccc21.
What is the InChIKey of (2Z)-6-iodo-1,1-dimethyl-3-prop-2-enylidene-2-propylideneindene?
The InChIKey is GXTMMCBNVVQPEA-GBSXSVLBSA-N. The full InChI is InChI=1S/C17H19I/c1-5-7-13-14-10-9-12(18)11-16(14)17(3,4)15(13)8-6-2/h5,7-11H,1,6H2,2-4H3/b13-7?,15-8+.
What are the key properties of (2Z)-6-iodo-1,1-dimethyl-3-prop-2-enylidene-2-propylideneindene?
(2Z)-6-iodo-1,1-dimethyl-3-prop-2-enylidene-2-propylideneindene has a molecular weight of 350.24 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-iodo-1,1-dimethyl-3-prop-2-enylidene-2-propylideneindene is sourced from PubChem (CID 173486701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).