3-ethenyl-6-iodo-1,1-dimethyl-2-propylindene

C16H19I — CID 89170468

IUPAC3-ethenyl-6-iodo-1,1-dimethyl-2-propylindene
SMILESC=CC1=C(CCC)C(C)(C)c2cc(I)ccc21
InChIInChI=1S/C16H19I/c1-5-7-14-12(6-2)13-9-8-11(17)10-15(13)16(14,3)4/h6,8-10H,2,5,7H2,1,3-4H3
InChIKeyGWAUYONYPJZUBP-UHFFFAOYSA-N
MW338.23 g/mol
LogP5.32
Rot. Bonds3

About 3-ethenyl-6-iodo-1,1-dimethyl-2-propylindene

3-ethenyl-6-iodo-1,1-dimethyl-2-propylindene (PubChem CID 89170468) has the molecular formula C16H19I and a molecular weight of 338.23 g/mol. Its IUPAC name is 3-ethenyl-6-iodo-1,1-dimethyl-2-propylindene.

Molecular Properties

Compound Name3-ethenyl-6-iodo-1,1-dimethyl-2-propylindene
PubChem CID89170468
Molecular FormulaC16H19I
Molecular Weight338.23 g/mol
Exact Mass338.05
IUPAC Name3-ethenyl-6-iodo-1,1-dimethyl-2-propylindene
SMILESC=CC1=C(CCC)C(C)(C)c2cc(I)ccc21
InChIInChI=1S/C16H19I/c1-5-7-14-12(6-2)13-9-8-11(17)10-15(13)16(14,3)4/h6,8-10H,2,5,7H2,1,3-4H3
InChIKeyGWAUYONYPJZUBP-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.23
LogP ≤ 55.32
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

(2Z)-6-iodo-1,1-dimethyl-3-prop-2-enylidene-2-propylideneindene
CID 173486701
1-ethenyl-4-iodo-2-propylbenzene
CID 141346319
2-[(3E,5Z)-hepta-3,5-dien-3-yl]-7-iodo-9,9-dimethylfluorene
CID 89176800
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
3'-[(1Z)-buta-1,3-dienyl]-2-iodo-2'-methylspiro[fluorene-9,1'-indene]
CID 89150368
2-bromo-9,9-dihexyl-7-iodofluorene
CID 18448199
2-iodo-7-methyl-9,9-bis(pent-4-enyl)fluorene
CID 135164402
2-[3-ethyl-2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]-7-iodo-9,9-dimethylfluorene
CID 70994305
2-cyclohexa-1,5-dien-1-yl-7-iodo-9,9-dimethylfluorene
CID 70987003
2-iodo-9,9-dimethyl-7-[(E)-1-(2-methylphenyl)prop-1-en-2-yl]fluorene
CID 70999731
2-(1-cyclohex-2-en-1-ylpent-4-enyl)-7-iodo-9,9-dimethylfluorene
CID 89170004

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-6-iodo-1,1-dimethyl-2-propylindene?
The IUPAC name of 3-ethenyl-6-iodo-1,1-dimethyl-2-propylindene (CID 89170468) is 3-ethenyl-6-iodo-1,1-dimethyl-2-propylindene.
What is the SMILES notation for 3-ethenyl-6-iodo-1,1-dimethyl-2-propylindene?
The canonical SMILES for 3-ethenyl-6-iodo-1,1-dimethyl-2-propylindene is C=CC1=C(CCC)C(C)(C)c2cc(I)ccc21.
What is the InChIKey of 3-ethenyl-6-iodo-1,1-dimethyl-2-propylindene?
The InChIKey is GWAUYONYPJZUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19I/c1-5-7-14-12(6-2)13-9-8-11(17)10-15(13)16(14,3)4/h6,8-10H,2,5,7H2,1,3-4H3.
What are the key properties of 3-ethenyl-6-iodo-1,1-dimethyl-2-propylindene?
3-ethenyl-6-iodo-1,1-dimethyl-2-propylindene has a molecular weight of 338.23 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-6-iodo-1,1-dimethyl-2-propylindene is sourced from PubChem (CID 89170468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).