ethyl 8-tert-butyl-1,4-dioxaspiro[4.5]decane-6-carboxylate

C15H26O4 — CID 567348

IUPACethyl 8-tert-butyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
SMILESCCOC(=O)C1CC(C(C)(C)C)CCC12OCCO2
InChIInChI=1S/C15H26O4/c1-5-17-13(16)12-10-11(14(2,3)4)6-7-15(12)18-8-9-19-15/h11-12H,5-10H2,1-4H3
InChIKeyGVFSFZPWWFWHLD-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.76
Rot. Bonds2

About ethyl 8-tert-butyl-1,4-dioxaspiro[4.5]decane-6-carboxylate

ethyl 8-tert-butyl-1,4-dioxaspiro[4.5]decane-6-carboxylate (PubChem CID 567348) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 8-tert-butyl-1,4-dioxaspiro[4.5]decane-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-tert-butyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
PubChem CID567348
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Nameethyl 8-tert-butyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
SMILESCCOC(=O)C1CC(C(C)(C)C)CCC12OCCO2
InChIInChI=1S/C15H26O4/c1-5-17-13(16)12-10-11(14(2,3)4)6-7-15(12)18-8-9-19-15/h11-12H,5-10H2,1-4H3
InChIKeyGVFSFZPWWFWHLD-UHFFFAOYSA-N
XLogP2.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-tert-butyl-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The IUPAC name of ethyl 8-tert-butyl-1,4-dioxaspiro[4.5]decane-6-carboxylate (CID 567348) is ethyl 8-tert-butyl-1,4-dioxaspiro[4.5]decane-6-carboxylate.
What is the SMILES notation for ethyl 8-tert-butyl-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The canonical SMILES for ethyl 8-tert-butyl-1,4-dioxaspiro[4.5]decane-6-carboxylate is CCOC(=O)C1CC(C(C)(C)C)CCC12OCCO2.
What is the InChIKey of ethyl 8-tert-butyl-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The InChIKey is GVFSFZPWWFWHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-5-17-13(16)12-10-11(14(2,3)4)6-7-15(12)18-8-9-19-15/h11-12H,5-10H2,1-4H3.
What are the key properties of ethyl 8-tert-butyl-1,4-dioxaspiro[4.5]decane-6-carboxylate?
ethyl 8-tert-butyl-1,4-dioxaspiro[4.5]decane-6-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-tert-butyl-1,4-dioxaspiro[4.5]decane-6-carboxylate is sourced from PubChem (CID 567348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).