(10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl) 2-methylprop-2-enoate

C15H18O7 — CID 59371095

IUPAC(10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1C(=O)OC2C3OC4(CCCC4)OC3OC12
InChIInChI=1S/C15H18O7/c1-7(2)12(16)19-10-8-9(18-13(10)17)11-14(20-8)22-15(21-11)5-3-4-6-15/h8-11,14H,1,3-6H2,2H3
InChIKeyALUAEMHYJYBFAV-UHFFFAOYSA-N
MW310.30 g/mol
LogP0.81
Rot. Bonds2

About (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl) 2-methylprop-2-enoate

(10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl) 2-methylprop-2-enoate (PubChem CID 59371095) has the molecular formula C15H18O7 and a molecular weight of 310.30 g/mol. Its IUPAC name is (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl) 2-methylprop-2-enoate
PubChem CID59371095
Molecular FormulaC15H18O7
Molecular Weight310.30 g/mol
Exact Mass310.11
IUPAC Name(10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1C(=O)OC2C3OC4(CCCC4)OC3OC12
InChIInChI=1S/C15H18O7/c1-7(2)12(16)19-10-8-9(18-13(10)17)11-14(20-8)22-15(21-11)5-3-4-6-15/h8-11,14H,1,3-6H2,2H3
InChIKeyALUAEMHYJYBFAV-UHFFFAOYSA-N
XLogP0.81
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl) 2-methylprop-2-enoate?
The IUPAC name of (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl) 2-methylprop-2-enoate (CID 59371095) is (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl) 2-methylprop-2-enoate?
The canonical SMILES for (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1C(=O)OC2C3OC4(CCCC4)OC3OC12.
What is the InChIKey of (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl) 2-methylprop-2-enoate?
The InChIKey is ALUAEMHYJYBFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O7/c1-7(2)12(16)19-10-8-9(18-13(10)17)11-14(20-8)22-15(21-11)5-3-4-6-15/h8-11,14H,1,3-6H2,2H3.
What are the key properties of (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl) 2-methylprop-2-enoate?
(10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl) 2-methylprop-2-enoate has a molecular weight of 310.30 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-9-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 59371095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).