(2R,4Z,7R,8S)-7-[(4-methoxyphenyl)methoxy]-8-methyl-2-(phenylmethoxymethyl)-8-[2-tri(propan-2-yl)silyloxyethyl]-2,3,6,7-tetrahydrooxocin-3-ol

C35H54O6Si — CID 11714130

About (2R,4Z,7R,8S)-7-[(4-methoxyphenyl)methoxy]-8-methyl-2-(phenylmethoxymethyl)-8-[2-tri(propan-2-yl)silyloxyethyl]-2,3,6,7-tetrahydrooxocin-3-ol

(2R,4Z,7R,8S)-7-[(4-methoxyphenyl)methoxy]-8-methyl-2-(phenylmethoxymethyl)-8-[2-tri(propan-2-yl)silyloxyethyl]-2,3,6,7-tetrahydrooxocin-3-ol (PubChem CID 11714130) has the molecular formula C35H54O6Si and a molecular weight of 598.90 g/mol. Its IUPAC name is (2R,4Z,7R,8S)-7-[(4-methoxyphenyl)methoxy]-8-methyl-2-(phenylmethoxymethyl)-8-[2-tri(propan-2-yl)silyloxyethyl]-2,3,6,7-tetrahydrooxocin-3-ol.

Molecular Properties

• Compound Name: (2R,4Z,7R,8S)-7-[(4-methoxyphenyl)methoxy]-8-methyl-2-(phenylmethoxymethyl)-8-[2-tri(propan-2-yl)silyloxyethyl]-2,3,6,7-tetrahydrooxocin-3-ol
• PubChem CID: 11714130
• Molecular Formula: C35H54O6Si
• Molecular Weight: 598.90 g/mol
• Exact Mass: 598.37
• IUPAC Name: (2R,4Z,7R,8S)-7-[(4-methoxyphenyl)methoxy]-8-methyl-2-(phenylmethoxymethyl)-8-[2-tri(propan-2-yl)silyloxyethyl]-2,3,6,7-tetrahydrooxocin-3-ol
• SMILES: COc1ccc(CO[C@@H]2C/C=C\C(O)[C@@H](COCc3ccccc3)O[C@@]2(C)CCO[Si](C(C)C)(C(C)C)C(C)C)cc1
• InChI: InChI=1S/C35H54O6Si/c1-26(2)42(27(3)4,28(5)6)40-22-21-35(7)34(39-24-30-17-19-31(37-8)20-18-30)16-12-15-32(36)33(41-35)25-38-23-29-13-10-9-11-14-29/h9-15,17-20,26-28,32-34,36H,16,21-25H2,1-8H3/b15-12-/t32?,33-,34-,35+/m1/s1
• InChIKey: HZQBLJKPJCFWHR-WLGLGGFJSA-N
• XLogP: 7.84
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.90
LogP ≤ 5	7.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,4Z,7R,8S)-7-[(4-methoxyphenyl)methoxy]-8-methyl-2-(phenylmethoxymethyl)-8-[2-tri(propan-2-yl)silyloxyethyl]-2,3,6,7-tetrahydrooxocin-3-ol?

The IUPAC name of (2R,4Z,7R,8S)-7-[(4-methoxyphenyl)methoxy]-8-methyl-2-(phenylmethoxymethyl)-8-[2-tri(propan-2-yl)silyloxyethyl]-2,3,6,7-tetrahydrooxocin-3-ol (CID 11714130) is (2R,4Z,7R,8S)-7-[(4-methoxyphenyl)methoxy]-8-methyl-2-(phenylmethoxymethyl)-8-[2-tri(propan-2-yl)silyloxyethyl]-2,3,6,7-tetrahydrooxocin-3-ol.

What is the SMILES notation for (2R,4Z,7R,8S)-7-[(4-methoxyphenyl)methoxy]-8-methyl-2-(phenylmethoxymethyl)-8-[2-tri(propan-2-yl)silyloxyethyl]-2,3,6,7-tetrahydrooxocin-3-ol?

The canonical SMILES for (2R,4Z,7R,8S)-7-[(4-methoxyphenyl)methoxy]-8-methyl-2-(phenylmethoxymethyl)-8-[2-tri(propan-2-yl)silyloxyethyl]-2,3,6,7-tetrahydrooxocin-3-ol is COc1ccc(CO[C@@H]2C/C=C\C(O)[C@@H](COCc3ccccc3)O[C@@]2(C)CCO[Si](C(C)C)(C(C)C)C(C)C)cc1.

What is the InChIKey of (2R,4Z,7R,8S)-7-[(4-methoxyphenyl)methoxy]-8-methyl-2-(phenylmethoxymethyl)-8-[2-tri(propan-2-yl)silyloxyethyl]-2,3,6,7-tetrahydrooxocin-3-ol?

The InChIKey is HZQBLJKPJCFWHR-WLGLGGFJSA-N. The full InChI is InChI=1S/C35H54O6Si/c1-26(2)42(27(3)4,28(5)6)40-22-21-35(7)34(39-24-30-17-19-31(37-8)20-18-30)16-12-15-32(36)33(41-35)25-38-23-29-13-10-9-11-14-29/h9-15,17-20,26-28,32-34,36H,16,21-25H2,1-8H3/b15-12-/t32?,33-,34-,35+/m1/s1.

What are the key properties of (2R,4Z,7R,8S)-7-[(4-methoxyphenyl)methoxy]-8-methyl-2-(phenylmethoxymethyl)-8-[2-tri(propan-2-yl)silyloxyethyl]-2,3,6,7-tetrahydrooxocin-3-ol?

(2R,4Z,7R,8S)-7-[(4-methoxyphenyl)methoxy]-8-methyl-2-(phenylmethoxymethyl)-8-[2-tri(propan-2-yl)silyloxyethyl]-2,3,6,7-tetrahydrooxocin-3-ol has a molecular weight of 598.90 g/mol, XLogP of 7.84, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4Z,7R,8S)-7-[(4-methoxyphenyl)methoxy]-8-methyl-2-(phenylmethoxymethyl)-8-[2-tri(propan-2-yl)silyloxyethyl]-2,3,6,7-tetrahydrooxocin-3-ol is sourced from PubChem (CID 11714130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).