methyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate

C10H14O4 — CID 12854654

IUPACmethyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate
SMILESCOC(=O)C1=CC2(CCC1)OCCO2
InChIInChI=1S/C10H14O4/c1-12-9(11)8-3-2-4-10(7-8)13-5-6-14-10/h7H,2-6H2,1H3
InChIKeyUNURVUDWTMKZQQ-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.01
Rot. Bonds1

About methyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate

methyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate (PubChem CID 12854654) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate.

Molecular Properties

Compound Namemethyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate
PubChem CID12854654
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namemethyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate
SMILESCOC(=O)C1=CC2(CCC1)OCCO2
InChIInChI=1S/C10H14O4/c1-12-9(11)8-3-2-4-10(7-8)13-5-6-14-10/h7H,2-6H2,1H3
InChIKeyUNURVUDWTMKZQQ-UHFFFAOYSA-N
XLogP1.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Acetic acid, 2-(1,4-dioxaspiro(4.5)dec-8-ylidene)-, ethyl ester
CID 373318
Methyl 9-methyl-8-oxo-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate
CID 134155166
1-Cyclohexene-1-carboxylic acid, ethyl ester
CID 74173
Methyl 5-(2-methyl-1,3-dioxolan-2-YL)-2-methylenepentanoate
CID 4116413
Methyl 1,4-dioxaspiro[4.5]dec-7-ene-8-carboxylate
CID 12563052
methyl (3aR,7aS)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
CID 15059812
Ethyl 1,4-dioxaspiro[4.5]dec-7-ene-8-carboxylate
CID 86703721
3-Hexyl-5-methoxy-5-propan-2-ylfuran-2-one
CID 10900759
1-Cyclohexene-1-carboxylic acid, 3-oxo-, ethyl ester
CID 11030225
3-Furanheptanoic acid, 2,5-dihydro-5-methyl-2-oxo-, methyl ester
CID 11447818
Ethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate
CID 11790518
methyl (7E)-1,4-dioxaspiro[4.7]dodec-7-ene-7-carboxylate
CID 13296490

Frequently Asked Questions

What is the IUPAC name of methyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate?
The IUPAC name of methyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate (CID 12854654) is methyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate.
What is the SMILES notation for methyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate?
The canonical SMILES for methyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate is COC(=O)C1=CC2(CCC1)OCCO2.
What is the InChIKey of methyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate?
The InChIKey is UNURVUDWTMKZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-12-9(11)8-3-2-4-10(7-8)13-5-6-14-10/h7H,2-6H2,1H3.
What are the key properties of methyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate?
methyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate is sourced from PubChem (CID 12854654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).