1,1,7,7-tetraethyl-4-iodo-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene

C24H37I — CID 132596556

IUPAC1,1,7,7-tetraethyl-4-iodo-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene
SMILESCCC1(CC)CC(C)(C)c2c1cc1c(c2I)C(C)(C)CC1(CC)CC
InChIInChI=1S/C24H37I/c1-9-23(10-2)14-21(5,6)18-16(23)13-17-19(20(18)25)22(7,8)15-24(17,11-3)12-4/h13H,9-12,14-15H2,1-8H3
InChIKeyXZYZJFJDFNIALI-UHFFFAOYSA-N
MW452.46 g/mol
LogP7.77
Rot. Bonds4

About 1,1,7,7-tetraethyl-4-iodo-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene

1,1,7,7-tetraethyl-4-iodo-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene (PubChem CID 132596556) has the molecular formula C24H37I and a molecular weight of 452.46 g/mol. Its IUPAC name is 1,1,7,7-tetraethyl-4-iodo-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene.

Molecular Properties

Compound Name1,1,7,7-tetraethyl-4-iodo-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene
PubChem CID132596556
Molecular FormulaC24H37I
Molecular Weight452.46 g/mol
Exact Mass452.19
IUPAC Name1,1,7,7-tetraethyl-4-iodo-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene
SMILESCCC1(CC)CC(C)(C)c2c1cc1c(c2I)C(C)(C)CC1(CC)CC
InChIInChI=1S/C24H37I/c1-9-23(10-2)14-21(5,6)18-16(23)13-17-19(20(18)25)22(7,8)15-24(17,11-3)12-4/h13H,9-12,14-15H2,1-8H3
InChIKeyXZYZJFJDFNIALI-UHFFFAOYSA-N
XLogP7.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.46
LogP ≤ 57.77
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

1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene-4-thiolate
CID 102477634
CID 177395241
CID 177395241
dimethoxy-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)borane
CID 177455219
2,4-bis[4-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobutane-1,3-diolate
CID 164756189
dideuterio-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)borane
CID 139116456
1,1,3,3-tetraethyl-5,6-dimethyl-2H-indene
CID 91073277
CID 136688256
CID 136688256
CID 177412276
CID 177412276
CID 136861252
CID 136861252
1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene-4,8-dione
CID 139037270
(E)-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-[(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)-thiophen-2-ylsilylidene]-thiophen-2-ylsilane
CID 101498985
dibromo-naphthalen-1-yl-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)silane
CID 102529230

Frequently Asked Questions

What is the IUPAC name of 1,1,7,7-tetraethyl-4-iodo-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene?
The IUPAC name of 1,1,7,7-tetraethyl-4-iodo-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene (CID 132596556) is 1,1,7,7-tetraethyl-4-iodo-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene.
What is the SMILES notation for 1,1,7,7-tetraethyl-4-iodo-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene?
The canonical SMILES for 1,1,7,7-tetraethyl-4-iodo-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene is CCC1(CC)CC(C)(C)c2c1cc1c(c2I)C(C)(C)CC1(CC)CC.
What is the InChIKey of 1,1,7,7-tetraethyl-4-iodo-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene?
The InChIKey is XZYZJFJDFNIALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37I/c1-9-23(10-2)14-21(5,6)18-16(23)13-17-19(20(18)25)22(7,8)15-24(17,11-3)12-4/h13H,9-12,14-15H2,1-8H3.
What are the key properties of 1,1,7,7-tetraethyl-4-iodo-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene?
1,1,7,7-tetraethyl-4-iodo-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene has a molecular weight of 452.46 g/mol, XLogP of 7.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,7,7-tetraethyl-4-iodo-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene is sourced from PubChem (CID 132596556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).