ethyl 8-hydroxy-7-methyl-1,4-dioxaspiro[4.5]decane-7-carboxylate

C12H20O5 — CID 14525142

IUPACethyl 8-hydroxy-7-methyl-1,4-dioxaspiro[4.5]decane-7-carboxylate
SMILESCCOC(=O)C1(C)CC2(CCC1O)OCCO2
InChIInChI=1S/C12H20O5/c1-3-15-10(14)11(2)8-12(5-4-9(11)13)16-6-7-17-12/h9,13H,3-8H2,1-2H3
InChIKeyPYMVOMCUMJLHDU-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.84
Rot. Bonds2

About ethyl 8-hydroxy-7-methyl-1,4-dioxaspiro[4.5]decane-7-carboxylate

ethyl 8-hydroxy-7-methyl-1,4-dioxaspiro[4.5]decane-7-carboxylate (PubChem CID 14525142) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 8-hydroxy-7-methyl-1,4-dioxaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Nameethyl 8-hydroxy-7-methyl-1,4-dioxaspiro[4.5]decane-7-carboxylate
PubChem CID14525142
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Nameethyl 8-hydroxy-7-methyl-1,4-dioxaspiro[4.5]decane-7-carboxylate
SMILESCCOC(=O)C1(C)CC2(CCC1O)OCCO2
InChIInChI=1S/C12H20O5/c1-3-15-10(14)11(2)8-12(5-4-9(11)13)16-6-7-17-12/h9,13H,3-8H2,1-2H3
InChIKeyPYMVOMCUMJLHDU-UHFFFAOYSA-N
XLogP0.84
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-hydroxy-7-methyl-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The IUPAC name of ethyl 8-hydroxy-7-methyl-1,4-dioxaspiro[4.5]decane-7-carboxylate (CID 14525142) is ethyl 8-hydroxy-7-methyl-1,4-dioxaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for ethyl 8-hydroxy-7-methyl-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for ethyl 8-hydroxy-7-methyl-1,4-dioxaspiro[4.5]decane-7-carboxylate is CCOC(=O)C1(C)CC2(CCC1O)OCCO2.
What is the InChIKey of ethyl 8-hydroxy-7-methyl-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The InChIKey is PYMVOMCUMJLHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-3-15-10(14)11(2)8-12(5-4-9(11)13)16-6-7-17-12/h9,13H,3-8H2,1-2H3.
What are the key properties of ethyl 8-hydroxy-7-methyl-1,4-dioxaspiro[4.5]decane-7-carboxylate?
ethyl 8-hydroxy-7-methyl-1,4-dioxaspiro[4.5]decane-7-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-hydroxy-7-methyl-1,4-dioxaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 14525142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).