methyl 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate

C20H26O4 — CID 58083014

IUPACmethyl 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate
SMILESCOC(=O)CC1c2ccc(CC(=O)OC(C)(C)C)cc2CC12CC2
InChIInChI=1S/C20H26O4/c1-19(2,3)24-18(22)10-13-5-6-15-14(9-13)12-20(7-8-20)16(15)11-17(21)23-4/h5-6,9,16H,7-8,10-12H2,1-4H3
InChIKeyBTCMTZDGBBBHSD-UHFFFAOYSA-N
MW330.42 g/mol
LogP3.55
Rot. Bonds4

About methyl 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate

methyl 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate (PubChem CID 58083014) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is methyl 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate
PubChem CID58083014
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Namemethyl 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate
SMILESCOC(=O)CC1c2ccc(CC(=O)OC(C)(C)C)cc2CC12CC2
InChIInChI=1S/C20H26O4/c1-19(2,3)24-18(22)10-13-5-6-15-14(9-13)12-20(7-8-20)16(15)11-17(21)23-4/h5-6,9,16H,7-8,10-12H2,1-4H3
InChIKeyBTCMTZDGBBBHSD-UHFFFAOYSA-N
XLogP3.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate with MolForge

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Related Compounds

methyl 3-[(2S)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate
CID 159363969
methyl 2-[5-[2-[3-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propoxy]-4,6-dimethylpyrimidin-5-yl]-2-methylphenyl]ethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate
CID 58082966
tert-butyl 2-[4-(1-hydroxycyclopropyl)phenyl]acetate
CID 118560566
tert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate
CID 118560274
methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 14071505
tert-butyl 2-(3H-inden-5-yl)acetate
CID 158672073
tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate
CID 161289804
methyl 2-(2-formyl-2,3-dihydro-1H-inden-5-yl)acetate
CID 88794450
tert-butyl 2-(3-ethylphenyl)acetate
CID 71064752
tert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate
CID 137357211
tert-butyl 2-(2-tert-butyl-3,4-dihydro-1H-isoquinolin-7-yl)acetate
CID 140721674
methyl 2-[(4S)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetate
CID 131610471

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate?
The IUPAC name of methyl 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate (CID 58083014) is methyl 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate?
The canonical SMILES for methyl 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate is COC(=O)CC1c2ccc(CC(=O)OC(C)(C)C)cc2CC12CC2.
What is the InChIKey of methyl 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate?
The InChIKey is BTCMTZDGBBBHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4/c1-19(2,3)24-18(22)10-13-5-6-15-14(9-13)12-20(7-8-20)16(15)11-17(21)23-4/h5-6,9,16H,7-8,10-12H2,1-4H3.
What are the key properties of methyl 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate?
methyl 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate has a molecular weight of 330.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetate is sourced from PubChem (CID 58083014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).