methyl 2-methoxy-1-oxaspiro[4.5]decane-2-carboxylate

C12H20O4 — CID 13052826

IUPACmethyl 2-methoxy-1-oxaspiro[4.5]decane-2-carboxylate
SMILESCOC(=O)C1(OC)CCC2(CCCCC2)O1
InChIInChI=1S/C12H20O4/c1-14-10(13)12(15-2)9-8-11(16-12)6-4-3-5-7-11/h3-9H2,1-2H3
InChIKeySABMFRXIKFAAQT-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.02
Rot. Bonds2

About methyl 2-methoxy-1-oxaspiro[4.5]decane-2-carboxylate

methyl 2-methoxy-1-oxaspiro[4.5]decane-2-carboxylate (PubChem CID 13052826) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 2-methoxy-1-oxaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-1-oxaspiro[4.5]decane-2-carboxylate
PubChem CID13052826
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Namemethyl 2-methoxy-1-oxaspiro[4.5]decane-2-carboxylate
SMILESCOC(=O)C1(OC)CCC2(CCCCC2)O1
InChIInChI=1S/C12H20O4/c1-14-10(13)12(15-2)9-8-11(16-12)6-4-3-5-7-11/h3-9H2,1-2H3
InChIKeySABMFRXIKFAAQT-UHFFFAOYSA-N
XLogP2.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-1-oxaspiro[4.5]decane-2-carboxylate?
The IUPAC name of methyl 2-methoxy-1-oxaspiro[4.5]decane-2-carboxylate (CID 13052826) is methyl 2-methoxy-1-oxaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for methyl 2-methoxy-1-oxaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for methyl 2-methoxy-1-oxaspiro[4.5]decane-2-carboxylate is COC(=O)C1(OC)CCC2(CCCCC2)O1.
What is the InChIKey of methyl 2-methoxy-1-oxaspiro[4.5]decane-2-carboxylate?
The InChIKey is SABMFRXIKFAAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-14-10(13)12(15-2)9-8-11(16-12)6-4-3-5-7-11/h3-9H2,1-2H3.
What are the key properties of methyl 2-methoxy-1-oxaspiro[4.5]decane-2-carboxylate?
methyl 2-methoxy-1-oxaspiro[4.5]decane-2-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-1-oxaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 13052826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).