9-propylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one

C14H20O5 — CID 58527733

IUPAC9-propylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one
SMILESCCCC1C(=O)OC2C3OC4(CCCC4)OC3OC12
InChIInChI=1S/C14H20O5/c1-2-5-8-9-10(16-12(8)15)11-13(17-9)19-14(18-11)6-3-4-7-14/h8-11,13H,2-7H2,1H3
InChIKeyWNYBPONHOQNPHH-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.74
Rot. Bonds2

About 9-propylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one

9-propylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one (PubChem CID 58527733) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 9-propylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one.

Molecular Properties

Compound Name9-propylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one
PubChem CID58527733
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name9-propylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one
SMILESCCCC1C(=O)OC2C3OC4(CCCC4)OC3OC12
InChIInChI=1S/C14H20O5/c1-2-5-8-9-10(16-12(8)15)11-13(17-9)19-14(18-11)6-3-4-7-14/h8-11,13H,2-7H2,1H3
InChIKeyWNYBPONHOQNPHH-UHFFFAOYSA-N
XLogP1.74
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-propylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one?
The IUPAC name of 9-propylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one (CID 58527733) is 9-propylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one.
What is the SMILES notation for 9-propylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one?
The canonical SMILES for 9-propylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one is CCCC1C(=O)OC2C3OC4(CCCC4)OC3OC12.
What is the InChIKey of 9-propylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one?
The InChIKey is WNYBPONHOQNPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-2-5-8-9-10(16-12(8)15)11-13(17-9)19-14(18-11)6-3-4-7-14/h8-11,13H,2-7H2,1H3.
What are the key properties of 9-propylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one?
9-propylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one has a molecular weight of 268.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one is sourced from PubChem (CID 58527733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).