4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one

C18H22O3 — CID 102898126

IUPAC4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(OCC3CCC4(CCCC4)O3)cccc21
InChIInChI=1S/C18H22O3/c19-16-7-6-15-14(16)4-3-5-17(15)20-12-13-8-11-18(21-13)9-1-2-10-18/h3-5,13H,1-2,6-12H2
InChIKeyCJKKYRZKZVJHEZ-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.69
Rot. Bonds3

About 4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one

4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one (PubChem CID 102898126) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one
PubChem CID102898126
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(OCC3CCC4(CCCC4)O3)cccc21
InChIInChI=1S/C18H22O3/c19-16-7-6-15-14(16)4-3-5-17(15)20-12-13-8-11-18(21-13)9-1-2-10-18/h3-5,13H,1-2,6-12H2
InChIKeyCJKKYRZKZVJHEZ-UHFFFAOYSA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 22854106
5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65454257
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896209
5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455572
[2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896073
3-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896207
[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898603
oxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 86748747
1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
CID 102846916
[2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine
CID 102896074
4-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896119
1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol
CID 102898614

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one?
The IUPAC name of 4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one (CID 102898126) is 4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one?
The canonical SMILES for 4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one is O=C1CCc2c(OCC3CCC4(CCCC4)O3)cccc21.
What is the InChIKey of 4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one?
The InChIKey is CJKKYRZKZVJHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c19-16-7-6-15-14(16)4-3-5-17(15)20-12-13-8-11-18(21-13)9-1-2-10-18/h3-5,13H,1-2,6-12H2.
What are the key properties of 4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one?
4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one has a molecular weight of 286.37 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one is sourced from PubChem (CID 102898126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).