tert-butyl-[[(12S,15S,16S)-4-methoxy-5-[(4-methoxyphenyl)methoxy]-16-methyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6,9-pentaenyl]oxy]-dimethylsilane

C34H46O4Si — CID 25058838

IUPACtert-butyl-[[(12S,15S,16S)-4-methoxy-5-[(4-methoxyphenyl)methoxy]-16-methyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6,9-pentaenyl]oxy]-dimethylsilane
SMILESCOc1ccc(COc2ccc3c(c2OC)CC2=C(C=C3)[C@@H]3CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC2)cc1
InChIInChI=1S/C34H46O4Si/c1-33(2,3)39(7,8)38-31-18-16-29-27-15-11-24-12-17-30(37-22-23-9-13-26(35-5)14-10-23)32(36-6)28(24)21-25(27)19-20-34(29,31)4/h9-15,17,29,31H,16,18-22H2,1-8H3/t29-,31-,34-/m0/s1
InChIKeySPXRSCHKHZODJH-ZYPSJOPPSA-N
MW546.82 g/mol
LogP8.75
Rot. Bonds7

About tert-butyl-[[(12S,15S,16S)-4-methoxy-5-[(4-methoxyphenyl)methoxy]-16-methyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6,9-pentaenyl]oxy]-dimethylsilane

tert-butyl-[[(12S,15S,16S)-4-methoxy-5-[(4-methoxyphenyl)methoxy]-16-methyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6,9-pentaenyl]oxy]-dimethylsilane (PubChem CID 25058838) has the molecular formula C34H46O4Si and a molecular weight of 546.82 g/mol. Its IUPAC name is tert-butyl-[[(12S,15S,16S)-4-methoxy-5-[(4-methoxyphenyl)methoxy]-16-methyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6,9-pentaenyl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(12S,15S,16S)-4-methoxy-5-[(4-methoxyphenyl)methoxy]-16-methyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6,9-pentaenyl]oxy]-dimethylsilane
PubChem CID25058838
Molecular FormulaC34H46O4Si
Molecular Weight546.82 g/mol
Exact Mass546.32
IUPAC Nametert-butyl-[[(12S,15S,16S)-4-methoxy-5-[(4-methoxyphenyl)methoxy]-16-methyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6,9-pentaenyl]oxy]-dimethylsilane
SMILESCOc1ccc(COc2ccc3c(c2OC)CC2=C(C=C3)[C@@H]3CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC2)cc1
InChIInChI=1S/C34H46O4Si/c1-33(2,3)39(7,8)38-31-18-16-29-27-15-11-24-12-17-30(37-22-23-9-13-26(35-5)14-10-23)32(36-6)28(24)21-25(27)19-20-34(29,31)4/h9-15,17,29,31H,16,18-22H2,1-8H3/t29-,31-,34-/m0/s1
InChIKeySPXRSCHKHZODJH-ZYPSJOPPSA-N
XLogP8.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.82
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(12S,15S,16S)-4-methoxy-5-[(4-methoxyphenyl)methoxy]-16-methyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6,9-pentaenyl]oxy]-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(12S,15S,16S)-4-methoxy-5-[(4-methoxyphenyl)methoxy]-16-methyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6,9-pentaenyl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(12S,15S,16S)-4-methoxy-5-[(4-methoxyphenyl)methoxy]-16-methyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6,9-pentaenyl]oxy]-dimethylsilane (CID 25058838) is tert-butyl-[[(12S,15S,16S)-4-methoxy-5-[(4-methoxyphenyl)methoxy]-16-methyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6,9-pentaenyl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(12S,15S,16S)-4-methoxy-5-[(4-methoxyphenyl)methoxy]-16-methyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6,9-pentaenyl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(12S,15S,16S)-4-methoxy-5-[(4-methoxyphenyl)methoxy]-16-methyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6,9-pentaenyl]oxy]-dimethylsilane is COc1ccc(COc2ccc3c(c2OC)CC2=C(C=C3)[C@@H]3CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC2)cc1.
What is the InChIKey of tert-butyl-[[(12S,15S,16S)-4-methoxy-5-[(4-methoxyphenyl)methoxy]-16-methyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6,9-pentaenyl]oxy]-dimethylsilane?
The InChIKey is SPXRSCHKHZODJH-ZYPSJOPPSA-N. The full InChI is InChI=1S/C34H46O4Si/c1-33(2,3)39(7,8)38-31-18-16-29-27-15-11-24-12-17-30(37-22-23-9-13-26(35-5)14-10-23)32(36-6)28(24)21-25(27)19-20-34(29,31)4/h9-15,17,29,31H,16,18-22H2,1-8H3/t29-,31-,34-/m0/s1.
What are the key properties of tert-butyl-[[(12S,15S,16S)-4-methoxy-5-[(4-methoxyphenyl)methoxy]-16-methyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6,9-pentaenyl]oxy]-dimethylsilane?
tert-butyl-[[(12S,15S,16S)-4-methoxy-5-[(4-methoxyphenyl)methoxy]-16-methyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6,9-pentaenyl]oxy]-dimethylsilane has a molecular weight of 546.82 g/mol, XLogP of 8.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(12S,15S,16S)-4-methoxy-5-[(4-methoxyphenyl)methoxy]-16-methyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6,9-pentaenyl]oxy]-dimethylsilane is sourced from PubChem (CID 25058838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).