dimethyl 1-[(Z)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhex-1-en-2-yl]-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate

C32H34O7 — CID 177498166

IUPACdimethyl 1-[(Z)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhex-1-en-2-yl]-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
SMILESCCCC/C(=C(/OC)C1=CCCCO1)C12OC(c3ccccc3)(C(C(=O)OC)=C1C(=O)OC)c1ccccc12
InChIInChI=1S/C32H34O7/c1-5-6-16-24(28(35-2)25-19-12-13-20-38-25)32-23-18-11-10-17-22(23)31(39-32,21-14-8-7-9-15-21)26(29(33)36-3)27(32)30(34)37-4/h7-11,14-15,17-19H,5-6,12-13,16,20H2,1-4H3/b28-24-
InChIKeyUYAGNBYKANUKIR-COOPMVRXSA-N
MW530.62 g/mol
LogP5.60
Rot. Bonds9

About dimethyl 1-[(Z)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhex-1-en-2-yl]-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate

dimethyl 1-[(Z)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhex-1-en-2-yl]-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate (PubChem CID 177498166) has the molecular formula C32H34O7 and a molecular weight of 530.62 g/mol. Its IUPAC name is dimethyl 1-[(Z)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhex-1-en-2-yl]-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-[(Z)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhex-1-en-2-yl]-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
PubChem CID177498166
Molecular FormulaC32H34O7
Molecular Weight530.62 g/mol
Exact Mass530.23
IUPAC Namedimethyl 1-[(Z)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhex-1-en-2-yl]-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
SMILESCCCC/C(=C(/OC)C1=CCCCO1)C12OC(c3ccccc3)(C(C(=O)OC)=C1C(=O)OC)c1ccccc12
InChIInChI=1S/C32H34O7/c1-5-6-16-24(28(35-2)25-19-12-13-20-38-25)32-23-18-11-10-17-22(23)31(39-32,21-14-8-7-9-15-21)26(29(33)36-3)27(32)30(34)37-4/h7-11,14-15,17-19H,5-6,12-13,16,20H2,1-4H3/b28-24-
InChIKeyUYAGNBYKANUKIR-COOPMVRXSA-N
XLogP5.60
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.62
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze dimethyl 1-[(Z)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhex-1-en-2-yl]-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate with MolForge

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Related Compounds

dimethyl 1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
CID 15566984
dimethyl (1S,8R)-1-(acetyloxymethyl)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
CID 134869445
1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one
CID 102648616
dimethyl (1Z,9Z,12E)-14-butyl-13-methoxy-12-methyl-8-phenyl-15-oxatricyclo[6.6.1.02,7]pentadeca-1(14),2,4,6,9,12-hexaene-9,10-dicarboxylate
CID 101430316
(2E)-2-benzylidene-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 135079434
(E)-3-(3,4-dihydro-2H-pyran-6-yl)-3-methoxy-1-phenylprop-2-en-1-one
CID 135037853
N-ethyl-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 171393518
ethyl (1R,8S)-1,8,10-triphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9-carboxylate
CID 40734135
ethyl (1S,8R)-1,8,10-triphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9-carboxylate
CID 40734136
benzhydryl 3,4-dihydro-2H-pyran-6-carboxylate
CID 70345325
3,4-dihydro-2H-pyran-6-yl-(2-ethoxyphenyl)methanone
CID 102647006
1-(3,4-dihydro-2H-pyran-6-yl)-3-phenylprop-2-en-1-one
CID 71377802

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-[(Z)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhex-1-en-2-yl]-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate?
The IUPAC name of dimethyl 1-[(Z)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhex-1-en-2-yl]-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate (CID 177498166) is dimethyl 1-[(Z)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhex-1-en-2-yl]-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate.
What is the SMILES notation for dimethyl 1-[(Z)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhex-1-en-2-yl]-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate?
The canonical SMILES for dimethyl 1-[(Z)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhex-1-en-2-yl]-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate is CCCC/C(=C(/OC)C1=CCCCO1)C12OC(c3ccccc3)(C(C(=O)OC)=C1C(=O)OC)c1ccccc12.
What is the InChIKey of dimethyl 1-[(Z)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhex-1-en-2-yl]-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate?
The InChIKey is UYAGNBYKANUKIR-COOPMVRXSA-N. The full InChI is InChI=1S/C32H34O7/c1-5-6-16-24(28(35-2)25-19-12-13-20-38-25)32-23-18-11-10-17-22(23)31(39-32,21-14-8-7-9-15-21)26(29(33)36-3)27(32)30(34)37-4/h7-11,14-15,17-19H,5-6,12-13,16,20H2,1-4H3/b28-24-.
What are the key properties of dimethyl 1-[(Z)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhex-1-en-2-yl]-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate?
dimethyl 1-[(Z)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhex-1-en-2-yl]-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate has a molecular weight of 530.62 g/mol, XLogP of 5.60, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-[(Z)-1-(3,4-dihydro-2H-pyran-6-yl)-1-methoxyhex-1-en-2-yl]-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate is sourced from PubChem (CID 177498166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).