[(Z)-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 58906170

IUPAC[(Z)-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
SMILESC/C(=C/CCC(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/b23-17-/t24-,25+,26+,30-/m1/s1
InChIKeyXTSQSEOLKLWRIJ-QQPDFKICSA-N
MW508.98 g/mol
LogP10.12
Rot. Bonds8

About [(Z)-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

[(Z)-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 58906170) has the molecular formula C30H60O2Si2 and a molecular weight of 508.98 g/mol. Its IUPAC name is [(Z)-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[(Z)-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 CID58906170
Molecular FormulaC30H60O2Si2
Molecular Weight508.98 g/mol
Exact Mass508.41
IUPAC Name[(Z)-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
SMILESC/C(=C/CCC(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/b23-17-/t24-,25+,26+,30-/m1/s1
InChIKeyXTSQSEOLKLWRIJ-QQPDFKICSA-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 [(Z)-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

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Related Compounds

[6-[(3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-methylhept-6-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 59142148
(1R,3aR,4S,7aR)-1-(6-hydroxy-6-methylhept-2-en-2-yl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 91324706
[(1S,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl] acetate
CID 15168730
2-[(1R,3aR,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol
CID 58906178
[(1R,3aR,4S,7aR)-1-[(2S)-6,6-dimethylheptan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 67747448
(3R)-3-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-7-hydroxy-3,7-dimethyloctanal
CID 86629404
(2R)-2-[(3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal
CID 102024165
tert-butyl-[[(4S)-1-[(2R)-1-iodopropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy]-dimethylsilane
CID 58672922
6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloctan-2-ol
CID 68587917
1-[(3S,5S)-5-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-5-methyloxolan-3-yl]-2-methylpropan-2-ol
CID 67998305
(2R)-2-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-6-methylheptane-1,6-diol
CID 69233724
(6R)-6-[(1R,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-7-iodo-2-methylheptan-2-ol
CID 69304777

Frequently Asked Questions

What is the IUPAC name of [(Z)-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 [(Z)-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 58906170) is [(Z)-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 [(Z)-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 [(Z)-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 C/C(=C/CCC(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 [(Z)-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-QQPDFKICSA-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/b23-17-/t24-,25+,26+,30-/m1/s1.
What are the key properties of [(Z)-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?
[(Z)-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 [(Z)-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 58906170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).