ethyl 8-(5-methoxy-2-pyridinyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate

C17H23NO5 — CID 162342784

IUPACethyl 8-(5-methoxy-2-pyridinyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1(c2ccc(OC)cn2)CCC2(CC1)OCCO2
InChIInChI=1S/C17H23NO5/c1-3-21-15(19)16(14-5-4-13(20-2)12-18-14)6-8-17(9-7-16)22-10-11-23-17/h4-5,12H,3,6-11H2,1-2H3
InChIKeySPKYKHJLYMTUHV-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.21
Rot. Bonds4

About ethyl 8-(5-methoxy-2-pyridinyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate

ethyl 8-(5-methoxy-2-pyridinyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate (PubChem CID 162342784) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is ethyl 8-(5-methoxy-2-pyridinyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 8-(5-methoxy-2-pyridinyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
PubChem CID162342784
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Nameethyl 8-(5-methoxy-2-pyridinyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1(c2ccc(OC)cn2)CCC2(CC1)OCCO2
InChIInChI=1S/C17H23NO5/c1-3-21-15(19)16(14-5-4-13(20-2)12-18-14)6-8-17(9-7-16)22-10-11-23-17/h4-5,12H,3,6-11H2,1-2H3
InChIKeySPKYKHJLYMTUHV-UHFFFAOYSA-N
XLogP2.21
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 8-(pyridin-4-yloxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 130300290
ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate
CID 134605040
8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 113236174
ethyl 2-(4-methoxyphenyl)oxane-2-carboxylate
CID 142504241
ethyl 8-(methoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 121279376
ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 59218761
methyl 8-(1,3-thiazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 59030563
ethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 129073640
methyl 1-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate
CID 130655929
ethyl (2S)-2-chloro-7-methoxy-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 101498334
ethyl 2-[[3-(5-chlorofuran-2-yl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 70348390
8-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 10934332

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(5-methoxy-2-pyridinyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 8-(5-methoxy-2-pyridinyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate (CID 162342784) is ethyl 8-(5-methoxy-2-pyridinyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 8-(5-methoxy-2-pyridinyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 8-(5-methoxy-2-pyridinyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate is CCOC(=O)C1(c2ccc(OC)cn2)CCC2(CC1)OCCO2.
What is the InChIKey of ethyl 8-(5-methoxy-2-pyridinyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The InChIKey is SPKYKHJLYMTUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-3-21-15(19)16(14-5-4-13(20-2)12-18-14)6-8-17(9-7-16)22-10-11-23-17/h4-5,12H,3,6-11H2,1-2H3.
What are the key properties of ethyl 8-(5-methoxy-2-pyridinyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate?
ethyl 8-(5-methoxy-2-pyridinyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate has a molecular weight of 321.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(5-methoxy-2-pyridinyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 162342784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).