(1R,2R,4S,5Z,7R)-2-methyl-2,4-bis(triethylsilyloxy)-5-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-11-oxabicyclo[5.3.1]undec-5-en-8-one

C35H70O5Si3 — CID 24787960

IUPAC(1R,2R,4S,5Z,7R)-2-methyl-2,4-bis(triethylsilyloxy)-5-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-11-oxabicyclo[5.3.1]undec-5-en-8-one
SMILESCC[Si](CC)(CC)O[C@H]1C[C@@](C)(O[Si](CC)(CC)CC)[C@H]2CCC(=O)[C@@H](/C=C\1[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)O2
InChIInChI=1S/C35H70O5Si3/c1-15-41(16-2,17-3)39-33-24-35(14,40-42(18-4,19-5)20-6)34-22-21-31(36)32(38-34)23-30(33)29(13)25-37-43(26(7)8,27(9)10)28(11)12/h23,26-29,32-34H,15-22,24-25H2,1-14H3/b30-23-/t29-,32-,33+,34-,35-/m1/s1
InChIKeyWZCWEAXMUXADAP-HCEVDKFASA-N
MW655.20 g/mol
LogP10.43
Rot. Bonds17

About (1R,2R,4S,5Z,7R)-2-methyl-2,4-bis(triethylsilyloxy)-5-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-11-oxabicyclo[5.3.1]undec-5-en-8-one

(1R,2R,4S,5Z,7R)-2-methyl-2,4-bis(triethylsilyloxy)-5-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-11-oxabicyclo[5.3.1]undec-5-en-8-one (PubChem CID 24787960) has the molecular formula C35H70O5Si3 and a molecular weight of 655.20 g/mol. Its IUPAC name is (1R,2R,4S,5Z,7R)-2-methyl-2,4-bis(triethylsilyloxy)-5-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-11-oxabicyclo[5.3.1]undec-5-en-8-one.

Molecular Properties

Compound Name(1R,2R,4S,5Z,7R)-2-methyl-2,4-bis(triethylsilyloxy)-5-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-11-oxabicyclo[5.3.1]undec-5-en-8-one
PubChem CID24787960
Molecular FormulaC35H70O5Si3
Molecular Weight655.20 g/mol
Exact Mass654.45
IUPAC Name(1R,2R,4S,5Z,7R)-2-methyl-2,4-bis(triethylsilyloxy)-5-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-11-oxabicyclo[5.3.1]undec-5-en-8-one
SMILESCC[Si](CC)(CC)O[C@H]1C[C@@](C)(O[Si](CC)(CC)CC)[C@H]2CCC(=O)[C@@H](/C=C\1[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)O2
InChIInChI=1S/C35H70O5Si3/c1-15-41(16-2,17-3)39-33-24-35(14,40-42(18-4,19-5)20-6)34-22-21-31(36)32(38-34)23-30(33)29(13)25-37-43(26(7)8,27(9)10)28(11)12/h23,26-29,32-34H,15-22,24-25H2,1-14H3/b30-23-/t29-,32-,33+,34-,35-/m1/s1
InChIKeyWZCWEAXMUXADAP-HCEVDKFASA-N
XLogP10.43
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.20
LogP ≤ 510.43
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 (1R,2R,4S,5Z,7R)-2-methyl-2,4-bis(triethylsilyloxy)-5-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-11-oxabicyclo[5.3.1]undec-5-en-8-one with MolForge

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Related Compounds

3-[(1R,3S,5R,6S,8R,10S,12R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5,13-trimethyl-5-trimethylsilyloxy-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-14-en-6-yl]propanal
CID 11693209
(1R,2R,4S,5Z,7R,8S)-8-hydroxy-2-methyl-2,4-bis(triethylsilyloxy)-5-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-11-oxabicyclo[5.3.1]undec-5-ene-8-carbaldehyde
CID 24788092

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,5Z,7R)-2-methyl-2,4-bis(triethylsilyloxy)-5-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-11-oxabicyclo[5.3.1]undec-5-en-8-one?
The IUPAC name of (1R,2R,4S,5Z,7R)-2-methyl-2,4-bis(triethylsilyloxy)-5-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-11-oxabicyclo[5.3.1]undec-5-en-8-one (CID 24787960) is (1R,2R,4S,5Z,7R)-2-methyl-2,4-bis(triethylsilyloxy)-5-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-11-oxabicyclo[5.3.1]undec-5-en-8-one.
What is the SMILES notation for (1R,2R,4S,5Z,7R)-2-methyl-2,4-bis(triethylsilyloxy)-5-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-11-oxabicyclo[5.3.1]undec-5-en-8-one?
The canonical SMILES for (1R,2R,4S,5Z,7R)-2-methyl-2,4-bis(triethylsilyloxy)-5-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-11-oxabicyclo[5.3.1]undec-5-en-8-one is CC[Si](CC)(CC)O[C@H]1C[C@@](C)(O[Si](CC)(CC)CC)[C@H]2CCC(=O)[C@@H](/C=C\1[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)O2.
What is the InChIKey of (1R,2R,4S,5Z,7R)-2-methyl-2,4-bis(triethylsilyloxy)-5-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-11-oxabicyclo[5.3.1]undec-5-en-8-one?
The InChIKey is WZCWEAXMUXADAP-HCEVDKFASA-N. The full InChI is InChI=1S/C35H70O5Si3/c1-15-41(16-2,17-3)39-33-24-35(14,40-42(18-4,19-5)20-6)34-22-21-31(36)32(38-34)23-30(33)29(13)25-37-43(26(7)8,27(9)10)28(11)12/h23,26-29,32-34H,15-22,24-25H2,1-14H3/b30-23-/t29-,32-,33+,34-,35-/m1/s1.
What are the key properties of (1R,2R,4S,5Z,7R)-2-methyl-2,4-bis(triethylsilyloxy)-5-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-11-oxabicyclo[5.3.1]undec-5-en-8-one?
(1R,2R,4S,5Z,7R)-2-methyl-2,4-bis(triethylsilyloxy)-5-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-11-oxabicyclo[5.3.1]undec-5-en-8-one has a molecular weight of 655.20 g/mol, XLogP of 10.43, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5Z,7R)-2-methyl-2,4-bis(triethylsilyloxy)-5-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-11-oxabicyclo[5.3.1]undec-5-en-8-one is sourced from PubChem (CID 24787960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).