ethane;1,1,2,3-tetramethylindene

C17H28 — CID 90797870

IUPACethane;1,1,2,3-tetramethylindene
SMILESCC.CC.CC1=C(C)C(C)(C)c2ccccc21
InChIInChI=1S/C13H16.2C2H6/c1-9-10(2)13(3,4)12-8-6-5-7-11(9)12;2*1-2/h5-8H,1-4H3;2*1-2H3
InChIKeyOWPYLQOMWKQQKB-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.82
Rot. Bonds

About ethane;1,1,2,3-tetramethylindene

ethane;1,1,2,3-tetramethylindene (PubChem CID 90797870) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is ethane;1,1,2,3-tetramethylindene.

Molecular Properties

Compound Nameethane;1,1,2,3-tetramethylindene
PubChem CID90797870
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Nameethane;1,1,2,3-tetramethylindene
SMILESCC.CC.CC1=C(C)C(C)(C)c2ccccc21
InChIInChI=1S/C13H16.2C2H6/c1-9-10(2)13(3,4)12-8-6-5-7-11(9)12;2*1-2/h5-8H,1-4H3;2*1-2H3
InChIKeyOWPYLQOMWKQQKB-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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ethane;methane;2,9,9-trimethylfluorene
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ethane;2,6,9,10-tetrakis(1,1,3-trimethylinden-2-yl)anthracene
CID 91285401
ethane;9-fluoro-9-methylfluorene
CID 163249751
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
1,2,3,3,5,5-hexamethylspiro[cyclopentene-4,9'-fluorene]
CID 123782833
tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene
CID 157389689
3,3,14,14-tetramethyl-11,22-dithiahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4,6,8,13(21),15,17,19-nonaene
CID 142318096
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Frequently Asked Questions

What is the IUPAC name of ethane;1,1,2,3-tetramethylindene?
The IUPAC name of ethane;1,1,2,3-tetramethylindene (CID 90797870) is ethane;1,1,2,3-tetramethylindene.
What is the SMILES notation for ethane;1,1,2,3-tetramethylindene?
The canonical SMILES for ethane;1,1,2,3-tetramethylindene is CC.CC.CC1=C(C)C(C)(C)c2ccccc21.
What is the InChIKey of ethane;1,1,2,3-tetramethylindene?
The InChIKey is OWPYLQOMWKQQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16.2C2H6/c1-9-10(2)13(3,4)12-8-6-5-7-11(9)12;2*1-2/h5-8H,1-4H3;2*1-2H3.
What are the key properties of ethane;1,1,2,3-tetramethylindene?
ethane;1,1,2,3-tetramethylindene has a molecular weight of 232.41 g/mol, XLogP of 5.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,2,3-tetramethylindene is sourced from PubChem (CID 90797870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).