2,3-dihydro-1H-inden-1-yl(5-oxaspiro[3.5]nonan-8-yl)methanone

C18H22O2 — CID 79909189

IUPAC2,3-dihydro-1H-inden-1-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESO=C(C1CCOC2(CCC2)C1)C1CCc2ccccc21
InChIInChI=1S/C18H22O2/c19-17(14-8-11-20-18(12-14)9-3-10-18)16-7-6-13-4-1-2-5-15(13)16/h1-2,4-5,14,16H,3,6-12H2
InChIKeyVTLPWYUWDGGXAA-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.63
Rot. Bonds2

About 2,3-dihydro-1H-inden-1-yl(5-oxaspiro[3.5]nonan-8-yl)methanone

2,3-dihydro-1H-inden-1-yl(5-oxaspiro[3.5]nonan-8-yl)methanone (PubChem CID 79909189) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-yl(5-oxaspiro[3.5]nonan-8-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
PubChem CID79909189
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2,3-dihydro-1H-inden-1-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
SMILESO=C(C1CCOC2(CCC2)C1)C1CCc2ccccc21
InChIInChI=1S/C18H22O2/c19-17(14-8-11-20-18(12-14)9-3-10-18)16-7-6-13-4-1-2-5-15(13)16/h1-2,4-5,14,16H,3,6-12H2
InChIKeyVTLPWYUWDGGXAA-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methanone
CID 65409150
(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79922324
2,3-dihydro-1H-inden-2-yl(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 79909187
naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79908870
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913745
2,3-dihydro-1H-inden-1-yl-(3-methylcyclohexyl)methanone
CID 65407814
(3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 114215606
1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 86770976
(2-tert-butylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783977
6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone
CID 79913229
2,3-dihydro-1H-inden-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114622442
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone
CID 79912329

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-1-yl(5-oxaspiro[3.5]nonan-8-yl)methanone (CID 79909189) is 2,3-dihydro-1H-inden-1-yl(5-oxaspiro[3.5]nonan-8-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-1-yl(5-oxaspiro[3.5]nonan-8-yl)methanone is O=C(C1CCOC2(CCC2)C1)C1CCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-inden-1-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
The InChIKey is VTLPWYUWDGGXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c19-17(14-8-11-20-18(12-14)9-3-10-18)16-7-6-13-4-1-2-5-15(13)16/h1-2,4-5,14,16H,3,6-12H2.
What are the key properties of 2,3-dihydro-1H-inden-1-yl(5-oxaspiro[3.5]nonan-8-yl)methanone?
2,3-dihydro-1H-inden-1-yl(5-oxaspiro[3.5]nonan-8-yl)methanone has a molecular weight of 270.37 g/mol, XLogP of 3.63, 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(5-oxaspiro[3.5]nonan-8-yl)methanone is sourced from PubChem (CID 79909189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).