methyl 11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-diene-7-carboxylate

C18H26O4 — CID 11266763

IUPACmethyl 11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-diene-7-carboxylate
SMILESCOC(=O)C1=CC2(CC(C)(C)C13CC=C(C)CC3)OCCO2
InChIInChI=1S/C18H26O4/c1-13-5-7-17(8-6-13)14(15(19)20-4)11-18(12-16(17,2)3)21-9-10-22-18/h5,11H,6-10,12H2,1-4H3
InChIKeyOUGDNPPWBQCRPW-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.38
Rot. Bonds1

About methyl 11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-diene-7-carboxylate

methyl 11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-diene-7-carboxylate (PubChem CID 11266763) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is methyl 11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-diene-7-carboxylate.

Molecular Properties

Compound Namemethyl 11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-diene-7-carboxylate
PubChem CID11266763
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Namemethyl 11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-diene-7-carboxylate
SMILESCOC(=O)C1=CC2(CC(C)(C)C13CC=C(C)CC3)OCCO2
InChIInChI=1S/C18H26O4/c1-13-5-7-17(8-6-13)14(15(19)20-4)11-18(12-16(17,2)3)21-9-10-22-18/h5,11H,6-10,12H2,1-4H3
InChIKeyOUGDNPPWBQCRPW-UHFFFAOYSA-N
XLogP3.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-diene-7-carboxylate with MolForge

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Related Compounds

1-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]ethanone
CID 76962993
dimethyl 1,4-dioxaspiro[4.5]dec-6-ene-9,9-dicarboxylate
CID 121003810
3-methoxy-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene
CID 25136706
methyl 8',8'-dimethyl-7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydronaphthalene]-4'a-carboxylate
CID 23631609
methyl (E)-3-(2,5-dimethyl-3,4-dihydropyran-2-yl)-2-methylprop-2-enoate
CID 13426363
methyl (1S)-1-[(S)-cyclohexyl(hydroxy)methyl]-4-methylcyclohex-3-ene-1-carboxylate
CID 139039644
4-methyl-1-(trifluoromethyl)cyclohex-3-ene-1-carboxylic acid
CID 14806091
methyl (1R,4R)-1-hydroxy-5,8,8-trimethylbicyclo[2.2.2]octa-2,5-diene-2-carboxylate
CID 10822911
methyl (1R,4S,6S)-1,4,6-trimethyl-2,3,5-trioxabicyclo[2.2.2]oct-7-ene-8-carboxylate
CID 56641258
[(1S)-4-methyl-1-(6-methylhepta-1,5-dien-2-yl)cyclohex-3-en-1-yl] acetate
CID 102125310
methyl (1R,3aR,7aR)-1,3a-dihydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-indene-4-carboxylate
CID 90345884
[(1R)-4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-yl] benzoate
CID 167697090

Frequently Asked Questions

What is the IUPAC name of methyl 11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-diene-7-carboxylate?
The IUPAC name of methyl 11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-diene-7-carboxylate (CID 11266763) is methyl 11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-diene-7-carboxylate.
What is the SMILES notation for methyl 11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-diene-7-carboxylate?
The canonical SMILES for methyl 11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-diene-7-carboxylate is COC(=O)C1=CC2(CC(C)(C)C13CC=C(C)CC3)OCCO2.
What is the InChIKey of methyl 11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-diene-7-carboxylate?
The InChIKey is OUGDNPPWBQCRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-13-5-7-17(8-6-13)14(15(19)20-4)11-18(12-16(17,2)3)21-9-10-22-18/h5,11H,6-10,12H2,1-4H3.
What are the key properties of methyl 11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-diene-7-carboxylate?
methyl 11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-diene-7-carboxylate has a molecular weight of 306.40 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-diene-7-carboxylate is sourced from PubChem (CID 11266763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).