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

C11H16O4 — CID 11701289

IUPACmethyl (6R)-6-methyl-1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate
SMILESCOC(=O)[C@]1(C)C=CCCC12OCCO2
InChIInChI=1S/C11H16O4/c1-10(9(12)13-2)5-3-4-6-11(10)14-7-8-15-11/h3,5H,4,6-8H2,1-2H3/t10-/m0/s1
InChIKeyILKCGMUBPGFJEB-JTQLQIEISA-N
MW212.24 g/mol
LogP1.26
Rot. Bonds1

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

methyl (6R)-6-methyl-1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate (PubChem CID 11701289) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is methyl (6R)-6-methyl-1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-6-methyl-1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate
PubChem CID11701289
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namemethyl (6R)-6-methyl-1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate
SMILESCOC(=O)[C@]1(C)C=CCCC12OCCO2
InChIInChI=1S/C11H16O4/c1-10(9(12)13-2)5-3-4-6-11(10)14-7-8-15-11/h3,5H,4,6-8H2,1-2H3/t10-/m0/s1
InChIKeyILKCGMUBPGFJEB-JTQLQIEISA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethyl 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate
CID 170721017
ethyl (7R)-8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate
CID 175983312
(6-Allyl-1,4-dioxaspiro[4.5]dec-8-en-6-yl)acetic acid
CID 381492
Ethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate
CID 11789092
Ethyl 2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-6-yl)acetate
CID 11447817
Ethyl 2-but-3-enyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-enoate
CID 23254622
Diethyl cyclohex-2-ene-1,1-dicarboxylate
CID 10944145
ethyl (3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate
CID 70952287
ethyl (3aR,7aS)-2,2-diethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate
CID 70952400
methyl (E)-2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)oct-6-enoate
CID 71028727
Ethyl 2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate
CID 77967838
Ethyl 2,2-diethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate
CID 77967893

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-methyl-1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate?
The IUPAC name of methyl (6R)-6-methyl-1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate (CID 11701289) is methyl (6R)-6-methyl-1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate.
What is the SMILES notation for methyl (6R)-6-methyl-1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate?
The canonical SMILES for methyl (6R)-6-methyl-1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate is COC(=O)[C@]1(C)C=CCCC12OCCO2.
What is the InChIKey of methyl (6R)-6-methyl-1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate?
The InChIKey is ILKCGMUBPGFJEB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16O4/c1-10(9(12)13-2)5-3-4-6-11(10)14-7-8-15-11/h3,5H,4,6-8H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl (6R)-6-methyl-1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate?
methyl (6R)-6-methyl-1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-methyl-1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate is sourced from PubChem (CID 11701289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).