methyl 8-hydroxy-8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]decane-7-carboxylate

C14H22O7 — CID 567347

IUPACmethyl 8-hydroxy-8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)CCC1(O)CCC2(CC1C(=O)OC)OCCO2
InChIInChI=1S/C14H22O7/c1-18-11(15)3-4-13(17)5-6-14(20-7-8-21-14)9-10(13)12(16)19-2/h10,17H,3-9H2,1-2H3
InChIKeyFLPVUHBQILFCKS-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.39
Rot. Bonds4

About methyl 8-hydroxy-8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]decane-7-carboxylate

methyl 8-hydroxy-8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]decane-7-carboxylate (PubChem CID 567347) has the molecular formula C14H22O7 and a molecular weight of 302.32 g/mol. Its IUPAC name is methyl 8-hydroxy-8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namemethyl 8-hydroxy-8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]decane-7-carboxylate
PubChem CID567347
Molecular FormulaC14H22O7
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Namemethyl 8-hydroxy-8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)CCC1(O)CCC2(CC1C(=O)OC)OCCO2
InChIInChI=1S/C14H22O7/c1-18-11(15)3-4-13(17)5-6-14(20-7-8-21-14)9-10(13)12(16)19-2/h10,17H,3-9H2,1-2H3
InChIKeyFLPVUHBQILFCKS-UHFFFAOYSA-N
XLogP0.39
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 8-hydroxy-8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]decane-7-carboxylate with MolForge

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Related Compounds

methyl 3-[[(3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-yl]methylsulfanyl]propanoate
CID 155087712
methyl (8R)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
CID 122607276
ethane;methyl 9-(2-methoxy-2-oxoethyl)-1,5-dioxaspiro[5.5]undecane-10-carboxylate
CID 142951724
methyl 2-(8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)acetate
CID 121002759
methyl 3-(2,2,5-trimethyl-1,3-dioxan-5-yl)propanoate
CID 175254872
methyl 3-[1-(sulfanylmethyl)cyclopropyl]propanoate
CID 87946009
methyl 3-[(3S)-3-hydroxy-2-oxooxolan-3-yl]propanoate
CID 15449666
methyl 2-[(8-amino-1,4-dioxaspiro[4.5]decan-7-yl)sulfanyl]acetate
CID 64615213
dimethyl 1-methylcyclopropane-1,2-dicarboxylate
CID 574541
methyl (3S)-4,9,12-trioxadispiro[4.2.48.25]tetradecane-3-carboxylate
CID 171991435
dimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate
CID 139085135
methyl 3-(1,4-dioxa-8-thiaspiro[4.5]decan-6-yl)propanoate
CID 71369630

Frequently Asked Questions

What is the IUPAC name of methyl 8-hydroxy-8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The IUPAC name of methyl 8-hydroxy-8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]decane-7-carboxylate (CID 567347) is methyl 8-hydroxy-8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for methyl 8-hydroxy-8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for methyl 8-hydroxy-8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]decane-7-carboxylate is COC(=O)CCC1(O)CCC2(CC1C(=O)OC)OCCO2.
What is the InChIKey of methyl 8-hydroxy-8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The InChIKey is FLPVUHBQILFCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O7/c1-18-11(15)3-4-13(17)5-6-14(20-7-8-21-14)9-10(13)12(16)19-2/h10,17H,3-9H2,1-2H3.
What are the key properties of methyl 8-hydroxy-8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]decane-7-carboxylate?
methyl 8-hydroxy-8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]decane-7-carboxylate has a molecular weight of 302.32 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-hydroxy-8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 567347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).