tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane

C29H56O3Si — CID 54218450

IUPACtert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane
SMILESCCCCC(CCCC(C)(C)OCOC)C1=CCC2C(O[Si](C)(C)C(C)(C)C)CCCC12C
InChIInChI=1S/C29H56O3Si/c1-11-12-15-23(16-13-20-28(5,6)31-22-30-8)24-18-19-25-26(17-14-21-29(24,25)7)32-33(9,10)27(2,3)4/h18,23,25-26H,11-17,19-22H2,1-10H3
InChIKeyNXASJOZLAZWADW-UHFFFAOYSA-N
MW480.85 g/mol
LogP8.89
Rot. Bonds13

About tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane

tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane (PubChem CID 54218450) has the molecular formula C29H56O3Si and a molecular weight of 480.85 g/mol. Its IUPAC name is tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane
PubChem CID54218450
Molecular FormulaC29H56O3Si
Molecular Weight480.85 g/mol
Exact Mass480.40
IUPAC Nametert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane
SMILESCCCCC(CCCC(C)(C)OCOC)C1=CCC2C(O[Si](C)(C)C(C)(C)C)CCCC12C
InChIInChI=1S/C29H56O3Si/c1-11-12-15-23(16-13-20-28(5,6)31-22-30-8)24-18-19-25-26(17-14-21-29(24,25)7)32-33(9,10)27(2,3)4/h18,23,25-26H,11-17,19-22H2,1-10H3
InChIKeyNXASJOZLAZWADW-UHFFFAOYSA-N
XLogP8.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.85
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane;tert-butyl-[[(1Z)-1-[5-(methoxymethoxy)-5-methylhexylidene]-2,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy]-dimethylsilane
CID 54218448
[(3aR,4S,7aS)-1-[(3S)-7-(methoxymethoxy)-2,2,7-trimethyloctan-3-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 10767094
[(2R,3E,3aS,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-3-[5-(methoxymethoxy)-5-methylhexylidene]-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-inden-2-yl] N-phenylcarbamate
CID 10698098
[(3aR,4S,7aS)-1-[(2R)-dec-4-yn-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-trimethylsilane
CID 100995927
6-[(7aS)-7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl]-2-methylhept-3-yn-2-ol
CID 140598316
7-[(3aR,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-3a-methyl-1,2,3,6,7,7a-hexahydroinden-4-yl]-2-methylhept-6-yn-2-ol
CID 11625297
[(1S,2'R,3aR,4S,7aS)-2'-[(E)-4-(methoxymethoxy)-4-methylpent-1-enyl]-7a-methylspiro[3,3a,4,5,6,7-hexahydro-2H-indene-1,1'-cyclopropane]-4-yl]oxy-tert-butyl-dimethylsilane
CID 16743479
[(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
[(3aR,4S,7aS)-1-[(E,2R)-5-tert-butylsulfonyl-5-fluoropent-4-en-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy-triethylsilane
CID 10600533
(3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane
CID 75218881
[(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
6-[(3aS,4R,7aR)-7a-methyl-4-trimethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl]-2-methylhept-3-yn-1-ol
CID 57137700

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane (CID 54218450) is tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane is CCCCC(CCCC(C)(C)OCOC)C1=CCC2C(O[Si](C)(C)C(C)(C)C)CCCC12C.
What is the InChIKey of tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane?
The InChIKey is NXASJOZLAZWADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56O3Si/c1-11-12-15-23(16-13-20-28(5,6)31-22-30-8)24-18-19-25-26(17-14-21-29(24,25)7)32-33(9,10)27(2,3)4/h18,23,25-26H,11-17,19-22H2,1-10H3.
What are the key properties of tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane?
tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane has a molecular weight of 480.85 g/mol, XLogP of 8.89, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[1-[9-(methoxymethoxy)-9-methyldecan-5-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-yl]oxy]-dimethylsilane is sourced from PubChem (CID 54218450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).