ethane;propane;spiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one

C16H28O5 — CID 91485888

IUPACethane;propane;spiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one
SMILESCC.CCC.O=C1CC2OC3OC4(CCCC4)OC3C2O1
InChIInChI=1S/C11H14O5.C3H8.C2H6/c12-7-5-6-8(14-7)9-10(13-6)16-11(15-9)3-1-2-4-11;1-3-2;1-2/h6,8-10H,1-5H2;3H2,1-2H3;1-2H3
InChIKeyFNWATZHQLZHVEX-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.15
Rot. Bonds

About ethane;propane;spiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one

ethane;propane;spiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one (PubChem CID 91485888) has the molecular formula C16H28O5 and a molecular weight of 300.39 g/mol. Its IUPAC name is ethane;propane;spiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one.

Molecular Properties

Compound Nameethane;propane;spiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one
PubChem CID91485888
Molecular FormulaC16H28O5
Molecular Weight300.39 g/mol
Exact Mass300.19
IUPAC Nameethane;propane;spiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one
SMILESCC.CCC.O=C1CC2OC3OC4(CCCC4)OC3C2O1
InChIInChI=1S/C11H14O5.C3H8.C2H6/c12-7-5-6-8(14-7)9-10(13-6)16-11(15-9)3-1-2-4-11;1-3-2;1-2/h6,8-10H,1-5H2;3H2,1-2H3;1-2H3
InChIKeyFNWATZHQLZHVEX-UHFFFAOYSA-N
XLogP3.15
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;propane;spiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one?
The IUPAC name of ethane;propane;spiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one (CID 91485888) is ethane;propane;spiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one.
What is the SMILES notation for ethane;propane;spiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one?
The canonical SMILES for ethane;propane;spiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one is CC.CCC.O=C1CC2OC3OC4(CCCC4)OC3C2O1.
What is the InChIKey of ethane;propane;spiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one?
The InChIKey is FNWATZHQLZHVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5.C3H8.C2H6/c12-7-5-6-8(14-7)9-10(13-6)16-11(15-9)3-1-2-4-11;1-3-2;1-2/h6,8-10H,1-5H2;3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;spiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one?
ethane;propane;spiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one has a molecular weight of 300.39 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;spiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,1'-cyclopentane]-10-one is sourced from PubChem (CID 91485888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).