[6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-5-en-2-yl]oxy-tert-butyl-dimethylsilane

C30H60O2Si2 — CID 70367859

IUPAC[6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-5-en-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(=CCCC(C)(C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C
InChIInChI=1S/C30H60O2Si2/c1-23(17-15-21-29(8,9)32-34(13,14)28(5,6)7)24-19-20-25-26(18-16-22-30(24,25)10)31-33(11,12)27(2,3)4/h17,24-26H,15-16,18-22H2,1-14H3/t24-,25+,26+,30-/m1/s1
InChIKeyXTSQSEOLKLWRIJ-NHICWYPXSA-N
MW508.98 g/mol
LogP10.12
Rot. Bonds8

About [6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-5-en-2-yl]oxy-tert-butyl-dimethylsilane

[6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-5-en-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 70367859) has the molecular formula C30H60O2Si2 and a molecular weight of 508.98 g/mol. Its IUPAC name is [6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-5-en-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-5-en-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID70367859
Molecular FormulaC30H60O2Si2
Molecular Weight508.98 g/mol
Exact Mass508.41
IUPAC Name[6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-5-en-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(=CCCC(C)(C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C
InChIInChI=1S/C30H60O2Si2/c1-23(17-15-21-29(8,9)32-34(13,14)28(5,6)7)24-19-20-25-26(18-16-22-30(24,25)10)31-33(11,12)27(2,3)4/h17,24-26H,15-16,18-22H2,1-14H3/t24-,25+,26+,30-/m1/s1
InChIKeyXTSQSEOLKLWRIJ-NHICWYPXSA-N
XLogP10.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.98
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-5-en-2-yl]oxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-5-en-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-5-en-2-yl]oxy-tert-butyl-dimethylsilane (CID 70367859) is [6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-5-en-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-5-en-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-5-en-2-yl]oxy-tert-butyl-dimethylsilane is CC(=CCCC(C)(C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C.
What is the InChIKey of [6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-5-en-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is XTSQSEOLKLWRIJ-NHICWYPXSA-N. The full InChI is InChI=1S/C30H60O2Si2/c1-23(17-15-21-29(8,9)32-34(13,14)28(5,6)7)24-19-20-25-26(18-16-22-30(24,25)10)31-33(11,12)27(2,3)4/h17,24-26H,15-16,18-22H2,1-14H3/t24-,25+,26+,30-/m1/s1.
What are the key properties of [6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-5-en-2-yl]oxy-tert-butyl-dimethylsilane?
[6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-5-en-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 508.98 g/mol, XLogP of 10.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-5-en-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 70367859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).