(5-acetyloxydispiro[2.2.26.23]deca-4,9-dien-10-yl) acetate

C14H16O4 — CID 24976993

IUPAC(5-acetyloxydispiro[2.2.26.23]deca-4,9-dien-10-yl) acetate
SMILESCC(=O)OC1=CC2(CC2)C(OC(C)=O)=CC12CC2
InChIInChI=1S/C14H16O4/c1-9(15)17-11-7-14(5-6-14)12(18-10(2)16)8-13(11)3-4-13/h7-8H,3-6H2,1-2H3
InChIKeyQZYXFXGWCLYNSQ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.45
Rot. Bonds2

About (5-acetyloxydispiro[2.2.26.23]deca-4,9-dien-10-yl) acetate

(5-acetyloxydispiro[2.2.26.23]deca-4,9-dien-10-yl) acetate (PubChem CID 24976993) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is (5-acetyloxydispiro[2.2.26.23]deca-4,9-dien-10-yl) acetate.

Molecular Properties

Compound Name(5-acetyloxydispiro[2.2.26.23]deca-4,9-dien-10-yl) acetate
PubChem CID24976993
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name(5-acetyloxydispiro[2.2.26.23]deca-4,9-dien-10-yl) acetate
SMILESCC(=O)OC1=CC2(CC2)C(OC(C)=O)=CC12CC2
InChIInChI=1S/C14H16O4/c1-9(15)17-11-7-14(5-6-14)12(18-10(2)16)8-13(11)3-4-13/h7-8H,3-6H2,1-2H3
InChIKeyQZYXFXGWCLYNSQ-UHFFFAOYSA-N
XLogP2.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-acetyloxydispiro[2.2.26.23]deca-4,9-dien-10-yl) acetate?
The IUPAC name of (5-acetyloxydispiro[2.2.26.23]deca-4,9-dien-10-yl) acetate (CID 24976993) is (5-acetyloxydispiro[2.2.26.23]deca-4,9-dien-10-yl) acetate.
What is the SMILES notation for (5-acetyloxydispiro[2.2.26.23]deca-4,9-dien-10-yl) acetate?
The canonical SMILES for (5-acetyloxydispiro[2.2.26.23]deca-4,9-dien-10-yl) acetate is CC(=O)OC1=CC2(CC2)C(OC(C)=O)=CC12CC2.
What is the InChIKey of (5-acetyloxydispiro[2.2.26.23]deca-4,9-dien-10-yl) acetate?
The InChIKey is QZYXFXGWCLYNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-9(15)17-11-7-14(5-6-14)12(18-10(2)16)8-13(11)3-4-13/h7-8H,3-6H2,1-2H3.
What are the key properties of (5-acetyloxydispiro[2.2.26.23]deca-4,9-dien-10-yl) acetate?
(5-acetyloxydispiro[2.2.26.23]deca-4,9-dien-10-yl) acetate has a molecular weight of 248.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyloxydispiro[2.2.26.23]deca-4,9-dien-10-yl) acetate is sourced from PubChem (CID 24976993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).