methyl (1R,2S,3R,4R,7R,8R,10Z,14R)-6,10,14-trimethyl-4-phenylmethoxy-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-diene-3-carboxylate

C32H48O5Si — CID 11398609

IUPACmethyl (1R,2S,3R,4R,7R,8R,10Z,14R)-6,10,14-trimethyl-4-phenylmethoxy-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-diene-3-carboxylate
SMILESCC[Si](CC)(CC)O[C@]1(C)CC/C=C(/C)C[C@H]2O[C@@H]1[C@@H]1[C@@H](C(=O)OC)[C@H](OCc3ccccc3)C=C(C)[C@@H]12
InChIInChI=1S/C32H48O5Si/c1-8-38(9-2,10-3)37-32(6)18-14-15-22(4)19-26-27-23(5)20-25(35-21-24-16-12-11-13-17-24)28(31(33)34-7)29(27)30(32)36-26/h11-13,15-17,20,25-30H,8-10,14,18-19,21H2,1-7H3/b22-15-/t25-,26-,27-,28+,29+,30-,32-/m1/s1
InChIKeyCIHDEBBGNAJYOQ-DTBOWXNESA-N
MW540.82 g/mol
LogP7.23
Rot. Bonds9

About methyl (1R,2S,3R,4R,7R,8R,10Z,14R)-6,10,14-trimethyl-4-phenylmethoxy-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-diene-3-carboxylate

methyl (1R,2S,3R,4R,7R,8R,10Z,14R)-6,10,14-trimethyl-4-phenylmethoxy-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-diene-3-carboxylate (PubChem CID 11398609) has the molecular formula C32H48O5Si and a molecular weight of 540.82 g/mol. Its IUPAC name is methyl (1R,2S,3R,4R,7R,8R,10Z,14R)-6,10,14-trimethyl-4-phenylmethoxy-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-diene-3-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2S,3R,4R,7R,8R,10Z,14R)-6,10,14-trimethyl-4-phenylmethoxy-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-diene-3-carboxylate
PubChem CID11398609
Molecular FormulaC32H48O5Si
Molecular Weight540.82 g/mol
Exact Mass540.33
IUPAC Namemethyl (1R,2S,3R,4R,7R,8R,10Z,14R)-6,10,14-trimethyl-4-phenylmethoxy-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-diene-3-carboxylate
SMILESCC[Si](CC)(CC)O[C@]1(C)CC/C=C(/C)C[C@H]2O[C@@H]1[C@@H]1[C@@H](C(=O)OC)[C@H](OCc3ccccc3)C=C(C)[C@@H]12
InChIInChI=1S/C32H48O5Si/c1-8-38(9-2,10-3)37-32(6)18-14-15-22(4)19-26-27-23(5)20-25(35-21-24-16-12-11-13-17-24)28(31(33)34-7)29(27)30(32)36-26/h11-13,15-17,20,25-30H,8-10,14,18-19,21H2,1-7H3/b22-15-/t25-,26-,27-,28+,29+,30-,32-/m1/s1
InChIKeyCIHDEBBGNAJYOQ-DTBOWXNESA-N
XLogP7.23
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.82
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (1R,2S,3R,4R,7R,8R,10Z,14R)-6,10,14-trimethyl-4-phenylmethoxy-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-diene-3-carboxylate with MolForge

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Related Compounds

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dimethyl (1R,2S,3S)-5-fluoro-3-phenylmethoxycyclohex-4-ene-1,2-dicarboxylate
CID 135017329
(2R,4Z,8R,9R)-N,N,4,8-tetramethyl-8-phenylmethoxy-9-(phenylmethoxymethyl)-3,6,7,9-tetrahydro-2H-oxonine-2-carboxamide
CID 135023732
methyl (1R,2S,6R)-2-(phenylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane-2-carboxylate
CID 98389801
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CID 102594717
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CID 101067699
methyl 3-(phenylmethoxycarbonylamino)-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 14330860
[(1R,2S,3R,4R,7R,8R,10Z,14R)-14-acetyloxy-3-(2-acetyloxypropan-2-yl)-10,14-dimethyl-6-methylidene-15-oxatricyclo[6.6.1.02,7]pentadec-10-en-4-yl] acetate
CID 102458560
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl (1R,2S,3R,4R,7R,8R,10Z,14R)-6,10,14-trimethyl-4-phenylmethoxy-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-diene-3-carboxylate?
The IUPAC name of methyl (1R,2S,3R,4R,7R,8R,10Z,14R)-6,10,14-trimethyl-4-phenylmethoxy-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-diene-3-carboxylate (CID 11398609) is methyl (1R,2S,3R,4R,7R,8R,10Z,14R)-6,10,14-trimethyl-4-phenylmethoxy-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-diene-3-carboxylate.
What is the SMILES notation for methyl (1R,2S,3R,4R,7R,8R,10Z,14R)-6,10,14-trimethyl-4-phenylmethoxy-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-diene-3-carboxylate?
The canonical SMILES for methyl (1R,2S,3R,4R,7R,8R,10Z,14R)-6,10,14-trimethyl-4-phenylmethoxy-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-diene-3-carboxylate is CC[Si](CC)(CC)O[C@]1(C)CC/C=C(/C)C[C@H]2O[C@@H]1[C@@H]1[C@@H](C(=O)OC)[C@H](OCc3ccccc3)C=C(C)[C@@H]12.
What is the InChIKey of methyl (1R,2S,3R,4R,7R,8R,10Z,14R)-6,10,14-trimethyl-4-phenylmethoxy-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-diene-3-carboxylate?
The InChIKey is CIHDEBBGNAJYOQ-DTBOWXNESA-N. The full InChI is InChI=1S/C32H48O5Si/c1-8-38(9-2,10-3)37-32(6)18-14-15-22(4)19-26-27-23(5)20-25(35-21-24-16-12-11-13-17-24)28(31(33)34-7)29(27)30(32)36-26/h11-13,15-17,20,25-30H,8-10,14,18-19,21H2,1-7H3/b22-15-/t25-,26-,27-,28+,29+,30-,32-/m1/s1.
What are the key properties of methyl (1R,2S,3R,4R,7R,8R,10Z,14R)-6,10,14-trimethyl-4-phenylmethoxy-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-diene-3-carboxylate?
methyl (1R,2S,3R,4R,7R,8R,10Z,14R)-6,10,14-trimethyl-4-phenylmethoxy-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-diene-3-carboxylate has a molecular weight of 540.82 g/mol, XLogP of 7.23, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2S,3R,4R,7R,8R,10Z,14R)-6,10,14-trimethyl-4-phenylmethoxy-14-triethylsilyloxy-15-oxatricyclo[6.6.1.02,7]pentadeca-5,10-diene-3-carboxylate is sourced from PubChem (CID 11398609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).