methyl 5-methyl-3-oxo-1-propan-2-ylspiro[3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6,1'-cyclopropane]-4-carboxylate

C15H22O4 — CID 129060056

IUPACmethyl 5-methyl-3-oxo-1-propan-2-ylspiro[3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6,1'-cyclopropane]-4-carboxylate
SMILESCOC(=O)C1C2C(=O)OC(C(C)C)C2C2(CC2)C1C
InChIInChI=1S/C15H22O4/c1-7(2)12-11-10(14(17)19-12)9(13(16)18-4)8(3)15(11)5-6-15/h7-12H,5-6H2,1-4H3
InChIKeyWRTCFHNXRCSDMP-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.02
Rot. Bonds2

About methyl 5-methyl-3-oxo-1-propan-2-ylspiro[3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6,1'-cyclopropane]-4-carboxylate

methyl 5-methyl-3-oxo-1-propan-2-ylspiro[3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6,1'-cyclopropane]-4-carboxylate (PubChem CID 129060056) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 5-methyl-3-oxo-1-propan-2-ylspiro[3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6,1'-cyclopropane]-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-3-oxo-1-propan-2-ylspiro[3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6,1'-cyclopropane]-4-carboxylate
PubChem CID129060056
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namemethyl 5-methyl-3-oxo-1-propan-2-ylspiro[3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6,1'-cyclopropane]-4-carboxylate
SMILESCOC(=O)C1C2C(=O)OC(C(C)C)C2C2(CC2)C1C
InChIInChI=1S/C15H22O4/c1-7(2)12-11-10(14(17)19-12)9(13(16)18-4)8(3)15(11)5-6-15/h7-12H,5-6H2,1-4H3
InChIKeyWRTCFHNXRCSDMP-UHFFFAOYSA-N
XLogP2.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-3-oxo-1-propan-2-ylspiro[3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6,1'-cyclopropane]-4-carboxylate?
The IUPAC name of methyl 5-methyl-3-oxo-1-propan-2-ylspiro[3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6,1'-cyclopropane]-4-carboxylate (CID 129060056) is methyl 5-methyl-3-oxo-1-propan-2-ylspiro[3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6,1'-cyclopropane]-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-3-oxo-1-propan-2-ylspiro[3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6,1'-cyclopropane]-4-carboxylate?
The canonical SMILES for methyl 5-methyl-3-oxo-1-propan-2-ylspiro[3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6,1'-cyclopropane]-4-carboxylate is COC(=O)C1C2C(=O)OC(C(C)C)C2C2(CC2)C1C.
What is the InChIKey of methyl 5-methyl-3-oxo-1-propan-2-ylspiro[3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6,1'-cyclopropane]-4-carboxylate?
The InChIKey is WRTCFHNXRCSDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-7(2)12-11-10(14(17)19-12)9(13(16)18-4)8(3)15(11)5-6-15/h7-12H,5-6H2,1-4H3.
What are the key properties of methyl 5-methyl-3-oxo-1-propan-2-ylspiro[3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6,1'-cyclopropane]-4-carboxylate?
methyl 5-methyl-3-oxo-1-propan-2-ylspiro[3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6,1'-cyclopropane]-4-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-3-oxo-1-propan-2-ylspiro[3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan-6,1'-cyclopropane]-4-carboxylate is sourced from PubChem (CID 129060056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).