2,3-dihydro-1H-inden-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone

C18H24O2 — CID 114622442

IUPAC2,3-dihydro-1H-inden-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCC1(C)CC(C(=O)C2CCc3ccccc32)C(C)(C)O1
InChIInChI=1S/C18H24O2/c1-17(2)11-15(18(3,4)20-17)16(19)14-10-9-12-7-5-6-8-13(12)14/h5-8,14-15H,9-11H2,1-4H3
InChIKeyXVXSYDYQZNRORL-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.88
Rot. Bonds2

About 2,3-dihydro-1H-inden-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone

2,3-dihydro-1H-inden-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone (PubChem CID 114622442) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
PubChem CID114622442
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name2,3-dihydro-1H-inden-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCC1(C)CC(C(=O)C2CCc3ccccc32)C(C)(C)O1
InChIInChI=1S/C18H24O2/c1-17(2)11-15(18(3,4)20-17)16(19)14-10-9-12-7-5-6-8-13(12)14/h5-8,14-15H,9-11H2,1-4H3
InChIKeyXVXSYDYQZNRORL-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone (CID 114622442) is 2,3-dihydro-1H-inden-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone is CC1(C)CC(C(=O)C2CCc3ccccc32)C(C)(C)O1.
What is the InChIKey of 2,3-dihydro-1H-inden-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The InChIKey is XVXSYDYQZNRORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-17(2)11-15(18(3,4)20-17)16(19)14-10-9-12-7-5-6-8-13(12)14/h5-8,14-15H,9-11H2,1-4H3.
What are the key properties of 2,3-dihydro-1H-inden-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
2,3-dihydro-1H-inden-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone has a molecular weight of 272.39 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone is sourced from PubChem (CID 114622442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).