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

C11H18O4 — CID 22591390

IUPACmethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCOC(=O)C1(C)CCC2(CC1)OCCO2
InChIInChI=1S/C11H18O4/c1-10(9(12)13-2)3-5-11(6-4-10)14-7-8-15-11/h3-8H2,1-2H3
InChIKeyGPFLQUDSOXRFIP-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.48
Rot. Bonds1

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

methyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate (PubChem CID 22591390) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
PubChem CID22591390
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCOC(=O)C1(C)CCC2(CC1)OCCO2
InChIInChI=1S/C11H18O4/c1-10(9(12)13-2)3-5-11(6-4-10)14-7-8-15-11/h3-8H2,1-2H3
InChIKeyGPFLQUDSOXRFIP-UHFFFAOYSA-N
XLogP1.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The IUPAC name of methyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate (CID 22591390) is methyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for methyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for methyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate is COC(=O)C1(C)CCC2(CC1)OCCO2.
What is the InChIKey of methyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The InChIKey is GPFLQUDSOXRFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-10(9(12)13-2)3-5-11(6-4-10)14-7-8-15-11/h3-8H2,1-2H3.
What are the key properties of methyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate?
methyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 22591390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).