ethyl 5'-oxospiro[1,3-dioxolane-2,2'-3,4,6,6a-tetrahydro-1H-pentalene]-3'a-carboxylate

C13H18O5 — CID 70385117

IUPACethyl 5'-oxospiro[1,3-dioxolane-2,2'-3,4,6,6a-tetrahydro-1H-pentalene]-3'a-carboxylate
SMILESCCOC(=O)C12CC(=O)CC1CC1(C2)OCCO1
InChIInChI=1S/C13H18O5/c1-2-16-11(15)12-7-10(14)5-9(12)6-13(8-12)17-3-4-18-13/h9H,2-8H2,1H3
InChIKeyGGZOINHYYHJUPL-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.05
Rot. Bonds2

About ethyl 5'-oxospiro[1,3-dioxolane-2,2'-3,4,6,6a-tetrahydro-1H-pentalene]-3'a-carboxylate

ethyl 5'-oxospiro[1,3-dioxolane-2,2'-3,4,6,6a-tetrahydro-1H-pentalene]-3'a-carboxylate (PubChem CID 70385117) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is ethyl 5'-oxospiro[1,3-dioxolane-2,2'-3,4,6,6a-tetrahydro-1H-pentalene]-3'a-carboxylate.

Molecular Properties

Compound Nameethyl 5'-oxospiro[1,3-dioxolane-2,2'-3,4,6,6a-tetrahydro-1H-pentalene]-3'a-carboxylate
PubChem CID70385117
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Nameethyl 5'-oxospiro[1,3-dioxolane-2,2'-3,4,6,6a-tetrahydro-1H-pentalene]-3'a-carboxylate
SMILESCCOC(=O)C12CC(=O)CC1CC1(C2)OCCO1
InChIInChI=1S/C13H18O5/c1-2-16-11(15)12-7-10(14)5-9(12)6-13(8-12)17-3-4-18-13/h9H,2-8H2,1H3
InChIKeyGGZOINHYYHJUPL-UHFFFAOYSA-N
XLogP1.05
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5'-oxospiro[1,3-dioxolane-2,2'-3,4,6,6a-tetrahydro-1H-pentalene]-3'a-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5'-oxospiro[1,3-dioxolane-2,2'-3,4,6,6a-tetrahydro-1H-pentalene]-3'a-carboxylate?
The IUPAC name of ethyl 5'-oxospiro[1,3-dioxolane-2,2'-3,4,6,6a-tetrahydro-1H-pentalene]-3'a-carboxylate (CID 70385117) is ethyl 5'-oxospiro[1,3-dioxolane-2,2'-3,4,6,6a-tetrahydro-1H-pentalene]-3'a-carboxylate.
What is the SMILES notation for ethyl 5'-oxospiro[1,3-dioxolane-2,2'-3,4,6,6a-tetrahydro-1H-pentalene]-3'a-carboxylate?
The canonical SMILES for ethyl 5'-oxospiro[1,3-dioxolane-2,2'-3,4,6,6a-tetrahydro-1H-pentalene]-3'a-carboxylate is CCOC(=O)C12CC(=O)CC1CC1(C2)OCCO1.
What is the InChIKey of ethyl 5'-oxospiro[1,3-dioxolane-2,2'-3,4,6,6a-tetrahydro-1H-pentalene]-3'a-carboxylate?
The InChIKey is GGZOINHYYHJUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-2-16-11(15)12-7-10(14)5-9(12)6-13(8-12)17-3-4-18-13/h9H,2-8H2,1H3.
What are the key properties of ethyl 5'-oxospiro[1,3-dioxolane-2,2'-3,4,6,6a-tetrahydro-1H-pentalene]-3'a-carboxylate?
ethyl 5'-oxospiro[1,3-dioxolane-2,2'-3,4,6,6a-tetrahydro-1H-pentalene]-3'a-carboxylate has a molecular weight of 254.28 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5'-oxospiro[1,3-dioxolane-2,2'-3,4,6,6a-tetrahydro-1H-pentalene]-3'a-carboxylate is sourced from PubChem (CID 70385117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).