1-(1,3,3,6-tetramethyl-1-propan-2-yl-2H-inden-5-yl)ethanone

C18H26O — CID 5463809

IUPAC1-(1,3,3,6-tetramethyl-1-propan-2-yl-2H-inden-5-yl)ethanone
SMILESCC(=O)c1cc2c(cc1C)C(C)(C(C)C)CC2(C)C
InChIInChI=1S/C18H26O/c1-11(2)18(7)10-17(5,6)15-9-14(13(4)19)12(3)8-16(15)18/h8-9,11H,10H2,1-7H3
InChIKeyHADLISHZBKJUMM-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.79
Rot. Bonds2

About 1-(1,3,3,6-tetramethyl-1-propan-2-yl-2H-inden-5-yl)ethanone

1-(1,3,3,6-tetramethyl-1-propan-2-yl-2H-inden-5-yl)ethanone (PubChem CID 5463809) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-(1,3,3,6-tetramethyl-1-propan-2-yl-2H-inden-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,3,3,6-tetramethyl-1-propan-2-yl-2H-inden-5-yl)ethanone
PubChem CID5463809
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-(1,3,3,6-tetramethyl-1-propan-2-yl-2H-inden-5-yl)ethanone
SMILESCC(=O)c1cc2c(cc1C)C(C)(C(C)C)CC2(C)C
InChIInChI=1S/C18H26O/c1-11(2)18(7)10-17(5,6)15-9-14(13(4)19)12(3)8-16(15)18/h8-9,11H,10H2,1-7H3
InChIKeyHADLISHZBKJUMM-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,3,6-tetramethyl-1-propan-2-yl-2H-inden-5-yl)ethanone?
The IUPAC name of 1-(1,3,3,6-tetramethyl-1-propan-2-yl-2H-inden-5-yl)ethanone (CID 5463809) is 1-(1,3,3,6-tetramethyl-1-propan-2-yl-2H-inden-5-yl)ethanone.
What is the SMILES notation for 1-(1,3,3,6-tetramethyl-1-propan-2-yl-2H-inden-5-yl)ethanone?
The canonical SMILES for 1-(1,3,3,6-tetramethyl-1-propan-2-yl-2H-inden-5-yl)ethanone is CC(=O)c1cc2c(cc1C)C(C)(C(C)C)CC2(C)C.
What is the InChIKey of 1-(1,3,3,6-tetramethyl-1-propan-2-yl-2H-inden-5-yl)ethanone?
The InChIKey is HADLISHZBKJUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-11(2)18(7)10-17(5,6)15-9-14(13(4)19)12(3)8-16(15)18/h8-9,11H,10H2,1-7H3.
What are the key properties of 1-(1,3,3,6-tetramethyl-1-propan-2-yl-2H-inden-5-yl)ethanone?
1-(1,3,3,6-tetramethyl-1-propan-2-yl-2H-inden-5-yl)ethanone has a molecular weight of 258.40 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,3,6-tetramethyl-1-propan-2-yl-2H-inden-5-yl)ethanone is sourced from PubChem (CID 5463809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).