ethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate

C11H18O5 — CID 14913070

IUPACethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C11H18O5/c1-2-14-9(12)10(13)3-5-11(6-4-10)15-7-8-16-11/h13H,2-8H2,1H3
InChIKeyWPIGRKQDNYKUGH-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.60
Rot. Bonds2

About ethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate

ethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate (PubChem CID 14913070) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate
PubChem CID14913070
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Nameethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C11H18O5/c1-2-14-9(12)10(13)3-5-11(6-4-10)15-7-8-16-11/h13H,2-8H2,1H3
InChIKeyWPIGRKQDNYKUGH-UHFFFAOYSA-N
XLogP0.60
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate (CID 14913070) is ethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate is CCOC(=O)C1(O)CCC2(CC1)OCCO2.
What is the InChIKey of ethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The InChIKey is WPIGRKQDNYKUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-2-14-9(12)10(13)3-5-11(6-4-10)15-7-8-16-11/h13H,2-8H2,1H3.
What are the key properties of ethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate?
ethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate has a molecular weight of 230.26 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 14913070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).