[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

C30H60O2Si2 — CID 59142148

IUPAC[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
SMILESC=C(CCCC(C)(C)O[Si](C)(C)C(C)(C)C)C1CC[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/h24-26H,1,15-22H2,2-14H3/t24?,25-,26-,30+/m0/s1
InChIKeyPAOCHYGRLHCIKJ-PEQAKBIOSA-N
MW508.98 g/mol
LogP10.12
Rot. Bonds9

About [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

[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 (PubChem CID 59142148) has the molecular formula C30H60O2Si2 and a molecular weight of 508.98 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID59142148
Molecular FormulaC30H60O2Si2
Molecular Weight508.98 g/mol
Exact Mass508.41
IUPAC Name[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
SMILESC=C(CCCC(C)(C)O[Si](C)(C)C(C)(C)C)C1CC[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/h24-26H,1,15-22H2,2-14H3/t24?,25-,26-,30+/m0/s1
InChIKeyPAOCHYGRLHCIKJ-PEQAKBIOSA-N
XLogP10.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
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-[(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 with MolForge

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Related Compounds

[(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
(1R,3aR,4S,7aR)-1-(6-methoxy-6-methylhept-1-en-2-yl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 88974857
[(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
3-[(1R,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]but-3-enoxy-tert-butyl-dimethylsilane;dichloromethane;ethyl 2-[(1S,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate
CID 162215804
methyl 4-[1-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]cyclopropyl]butanoate
CID 68585378
[(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(6-methyl-6-triethylsilyloxyhept-1-en-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
CID 140546100
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
(6R)-6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-1,1,1-trifluoro-6,10-dimethyl-2-(trifluoromethyl)-10-trimethylsilyloxyundec-3-yn-2-ol
CID 86629405
(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
[(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
[(1S,3aR,4S,7aR)-7a-methyl-1-[(2R)-6-methyl-6-(oxan-2-yloxy)heptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 53474440
(6S)-6-[(1R,3aR,4S,7aR)-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 71662955

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C=C(CCCC(C)(C)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C.
What is the InChIKey of [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?
The InChIKey is PAOCHYGRLHCIKJ-PEQAKBIOSA-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/h24-26H,1,15-22H2,2-14H3/t24?,25-,26-,30+/m0/s1.
What are the key properties of [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?
[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 has a molecular weight of 508.98 g/mol, XLogP of 10.12, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 59142148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).