1-(1,2,2,3-tetramethyl-1-propan-2-yl-3H-inden-5-yl)ethanone

C18H26O — CID 23079634

IUPAC1-(1,2,2,3-tetramethyl-1-propan-2-yl-3H-inden-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C(C)C(C)(C)C2(C)C(C)C
InChIInChI=1S/C18H26O/c1-11(2)18(7)16-9-8-14(13(4)19)10-15(16)12(3)17(18,5)6/h8-12H,1-7H3
InChIKeyLEDVOQYZMOLCIX-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.95
Rot. Bonds2

About 1-(1,2,2,3-tetramethyl-1-propan-2-yl-3H-inden-5-yl)ethanone

1-(1,2,2,3-tetramethyl-1-propan-2-yl-3H-inden-5-yl)ethanone (PubChem CID 23079634) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-(1,2,2,3-tetramethyl-1-propan-2-yl-3H-inden-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,2,2,3-tetramethyl-1-propan-2-yl-3H-inden-5-yl)ethanone
PubChem CID23079634
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-(1,2,2,3-tetramethyl-1-propan-2-yl-3H-inden-5-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C(C)C(C)(C)C2(C)C(C)C
InChIInChI=1S/C18H26O/c1-11(2)18(7)16-9-8-14(13(4)19)10-15(16)12(3)17(18,5)6/h8-12H,1-7H3
InChIKeyLEDVOQYZMOLCIX-UHFFFAOYSA-N
XLogP4.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2,3-tetramethyl-1-propan-2-yl-3H-inden-5-yl)ethanone?
The IUPAC name of 1-(1,2,2,3-tetramethyl-1-propan-2-yl-3H-inden-5-yl)ethanone (CID 23079634) is 1-(1,2,2,3-tetramethyl-1-propan-2-yl-3H-inden-5-yl)ethanone.
What is the SMILES notation for 1-(1,2,2,3-tetramethyl-1-propan-2-yl-3H-inden-5-yl)ethanone?
The canonical SMILES for 1-(1,2,2,3-tetramethyl-1-propan-2-yl-3H-inden-5-yl)ethanone is CC(=O)c1ccc2c(c1)C(C)C(C)(C)C2(C)C(C)C.
What is the InChIKey of 1-(1,2,2,3-tetramethyl-1-propan-2-yl-3H-inden-5-yl)ethanone?
The InChIKey is LEDVOQYZMOLCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-11(2)18(7)16-9-8-14(13(4)19)10-15(16)12(3)17(18,5)6/h8-12H,1-7H3.
What are the key properties of 1-(1,2,2,3-tetramethyl-1-propan-2-yl-3H-inden-5-yl)ethanone?
1-(1,2,2,3-tetramethyl-1-propan-2-yl-3H-inden-5-yl)ethanone has a molecular weight of 258.40 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2,3-tetramethyl-1-propan-2-yl-3H-inden-5-yl)ethanone is sourced from PubChem (CID 23079634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).