methyl 2-methyl-1-oxaspiro[4.5]deca-2,6-diene-3-carboxylate

C12H16O3 — CID 24974012

IUPACmethyl 2-methyl-1-oxaspiro[4.5]deca-2,6-diene-3-carboxylate
SMILESCOC(=O)C1=C(C)OC2(C=CCCC2)C1
InChIInChI=1S/C12H16O3/c1-9-10(11(13)14-2)8-12(15-9)6-4-3-5-7-12/h4,6H,3,5,7-8H2,1-2H3
InChIKeyRVGOXHQWUZPZMN-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.33
Rot. Bonds1

About methyl 2-methyl-1-oxaspiro[4.5]deca-2,6-diene-3-carboxylate

methyl 2-methyl-1-oxaspiro[4.5]deca-2,6-diene-3-carboxylate (PubChem CID 24974012) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 2-methyl-1-oxaspiro[4.5]deca-2,6-diene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1-oxaspiro[4.5]deca-2,6-diene-3-carboxylate
PubChem CID24974012
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl 2-methyl-1-oxaspiro[4.5]deca-2,6-diene-3-carboxylate
SMILESCOC(=O)C1=C(C)OC2(C=CCCC2)C1
InChIInChI=1S/C12H16O3/c1-9-10(11(13)14-2)8-12(15-9)6-4-3-5-7-12/h4,6H,3,5,7-8H2,1-2H3
InChIKeyRVGOXHQWUZPZMN-UHFFFAOYSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 91747285
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CID 330209
tert-butyl 5-methyl-2-methylidene-3-propyl-3H-furan-4-carboxylate
CID 12424583
2-Methyl-3-acetyl-5-vinyl-5-(4-methyl-3-pentenyl)-4,5-dihydrofuran
CID 12717498
3-Carbethoxy-2,5-dimethyl-5-isopropenyl-4,5-dihydrofuran
CID 13413057
Methyl 2-methyl-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate
CID 13459708
methyl (3aS,7aS)-2-methyl-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate
CID 13459709
5-(Cyclohexen-1-yl)-5-methyloxolan-2-one
CID 86161315
methyl (3aR,6aR)-2-decyl-4,6a-dihydro-3aH-cyclopenta[b]furan-3-carboxylate
CID 102157247
3-Isobutylidene-3a,4,5,6-tetrahydrophthalide
CID 129715985
Ethyl 2-prop-2-enoxycyclohexene-1-carboxylate
CID 134840459
ethyl 2-[(E)-but-2-enoxy]cyclohexene-1-carboxylate
CID 134859133

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1-oxaspiro[4.5]deca-2,6-diene-3-carboxylate?
The IUPAC name of methyl 2-methyl-1-oxaspiro[4.5]deca-2,6-diene-3-carboxylate (CID 24974012) is methyl 2-methyl-1-oxaspiro[4.5]deca-2,6-diene-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-1-oxaspiro[4.5]deca-2,6-diene-3-carboxylate?
The canonical SMILES for methyl 2-methyl-1-oxaspiro[4.5]deca-2,6-diene-3-carboxylate is COC(=O)C1=C(C)OC2(C=CCCC2)C1.
What is the InChIKey of methyl 2-methyl-1-oxaspiro[4.5]deca-2,6-diene-3-carboxylate?
The InChIKey is RVGOXHQWUZPZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9-10(11(13)14-2)8-12(15-9)6-4-3-5-7-12/h4,6H,3,5,7-8H2,1-2H3.
What are the key properties of methyl 2-methyl-1-oxaspiro[4.5]deca-2,6-diene-3-carboxylate?
methyl 2-methyl-1-oxaspiro[4.5]deca-2,6-diene-3-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1-oxaspiro[4.5]deca-2,6-diene-3-carboxylate is sourced from PubChem (CID 24974012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).