1,1,3,3-tetraethyl-5,6-dimethyl-2H-indene

C19H30 — CID 91073277

IUPAC1,1,3,3-tetraethyl-5,6-dimethyl-2H-indene
SMILESCCC1(CC)CC(CC)(CC)c2cc(C)c(C)cc21
InChIInChI=1S/C19H30/c1-7-18(8-2)13-19(9-3,10-4)17-12-15(6)14(5)11-16(17)18/h11-12H,7-10,13H2,1-6H3
InChIKeyDIUOOQNQGJCZLQ-UHFFFAOYSA-N
MW258.45 g/mol
LogP5.82
Rot. Bonds4

About 1,1,3,3-tetraethyl-5,6-dimethyl-2H-indene

1,1,3,3-tetraethyl-5,6-dimethyl-2H-indene (PubChem CID 91073277) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1,1,3,3-tetraethyl-5,6-dimethyl-2H-indene.

Molecular Properties

Compound Name1,1,3,3-tetraethyl-5,6-dimethyl-2H-indene
PubChem CID91073277
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name1,1,3,3-tetraethyl-5,6-dimethyl-2H-indene
SMILESCCC1(CC)CC(CC)(CC)c2cc(C)c(C)cc21
InChIInChI=1S/C19H30/c1-7-18(8-2)13-19(9-3,10-4)17-12-15(6)14(5)11-16(17)18/h11-12H,7-10,13H2,1-6H3
InChIKeyDIUOOQNQGJCZLQ-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 177395241
CID 177395241
dideuterio-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)borane
CID 139116456
dimethoxy-(1,1,3,3,5,5,7,7-octaethyl-2,6-dihydro-s-indacen-4-yl)borane
CID 177455219
1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene-4-thiolate
CID 102477634
1,1,7,7-tetraethyl-4-iodo-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene
CID 132596556
dilithium;1,1,3,3,5,5,7,7-octaethyl-4,6-dihydro-2H-s-indacen-4-ide;oxolane;bromide
CID 139171961
CID 136688256
CID 136688256
(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
2,3,6,7,9,9-hexamethylfluorene
CID 59701923
1-ethyl-4-(2,4,5-trimethylphenyl)piperidin-4-ol
CID 64984824
3-butyl-3-ethyl-5,7-dimethyl-1,2-dihydroindole
CID 106701914
4-fluoro-4-(2,4,5-trimethylphenyl)piperidine
CID 112563237

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetraethyl-5,6-dimethyl-2H-indene?
The IUPAC name of 1,1,3,3-tetraethyl-5,6-dimethyl-2H-indene (CID 91073277) is 1,1,3,3-tetraethyl-5,6-dimethyl-2H-indene.
What is the SMILES notation for 1,1,3,3-tetraethyl-5,6-dimethyl-2H-indene?
The canonical SMILES for 1,1,3,3-tetraethyl-5,6-dimethyl-2H-indene is CCC1(CC)CC(CC)(CC)c2cc(C)c(C)cc21.
What is the InChIKey of 1,1,3,3-tetraethyl-5,6-dimethyl-2H-indene?
The InChIKey is DIUOOQNQGJCZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30/c1-7-18(8-2)13-19(9-3,10-4)17-12-15(6)14(5)11-16(17)18/h11-12H,7-10,13H2,1-6H3.
What are the key properties of 1,1,3,3-tetraethyl-5,6-dimethyl-2H-indene?
1,1,3,3-tetraethyl-5,6-dimethyl-2H-indene has a molecular weight of 258.45 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetraethyl-5,6-dimethyl-2H-indene is sourced from PubChem (CID 91073277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).