[(4aR,6aR,7R,10bR)-3,3,6a,10b-tetramethyl-4a,5,6,7,8,9-hexahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane

C22H40O3Si — CID 11291955

IUPAC[(4aR,6aR,7R,10bR)-3,3,6a,10b-tetramethyl-4a,5,6,7,8,9-hexahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)OC[C@@]2(C)C3=CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]3(C)CC[C@H]2O1
InChIInChI=1S/C22H40O3Si/c1-19(2,3)26(8,9)25-18-12-10-11-16-21(18,6)14-13-17-22(16,7)15-23-20(4,5)24-17/h11,17-18H,10,12-15H2,1-9H3/t17-,18-,21-,22+/m1/s1
InChIKeyDITSHWNMPWHNCM-YHBROIRLSA-N
MW380.65 g/mol
LogP6.05
Rot. Bonds2

About [(4aR,6aR,7R,10bR)-3,3,6a,10b-tetramethyl-4a,5,6,7,8,9-hexahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane

[(4aR,6aR,7R,10bR)-3,3,6a,10b-tetramethyl-4a,5,6,7,8,9-hexahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11291955) has the molecular formula C22H40O3Si and a molecular weight of 380.65 g/mol. Its IUPAC name is [(4aR,6aR,7R,10bR)-3,3,6a,10b-tetramethyl-4a,5,6,7,8,9-hexahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4aR,6aR,7R,10bR)-3,3,6a,10b-tetramethyl-4a,5,6,7,8,9-hexahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11291955
Molecular FormulaC22H40O3Si
Molecular Weight380.65 g/mol
Exact Mass380.27
IUPAC Name[(4aR,6aR,7R,10bR)-3,3,6a,10b-tetramethyl-4a,5,6,7,8,9-hexahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)OC[C@@]2(C)C3=CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]3(C)CC[C@H]2O1
InChIInChI=1S/C22H40O3Si/c1-19(2,3)26(8,9)25-18-12-10-11-16-21(18,6)14-13-17-22(16,7)15-23-20(4,5)24-17/h11,17-18H,10,12-15H2,1-9H3/t17-,18-,21-,22+/m1/s1
InChIKeyDITSHWNMPWHNCM-YHBROIRLSA-N
XLogP6.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.65
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(4aR,6aR,7R,10bR)-3,3,6a,10b-tetramethyl-4a,5,6,7,8,9-hexahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane
CID 102406518
(3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane
CID 75218881
(5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol
CID 101133967
(1S,3aS,4S,6aS)-3a,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2,3,4,5,6,6a-hexahydro-1H-pentalen-1-ol
CID 11326644
[(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane
CID 10040842
(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one
CID 10755508
(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 11369575
methyl (1S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylate
CID 58379359
(2R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-6-en-9-one
CID 91502167
tert-butyl-[[(5S,6S)-2,2-dimethyl-1,3,10-trioxaspiro[4.5]dec-7-en-6-yl]oxy]-dimethylsilane
CID 58766039
tert-butyl-dimethyl-[[(3R)-6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane
CID 11230258
tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane
CID 171844194

Frequently Asked Questions

What is the IUPAC name of [(4aR,6aR,7R,10bR)-3,3,6a,10b-tetramethyl-4a,5,6,7,8,9-hexahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4aR,6aR,7R,10bR)-3,3,6a,10b-tetramethyl-4a,5,6,7,8,9-hexahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane (CID 11291955) is [(4aR,6aR,7R,10bR)-3,3,6a,10b-tetramethyl-4a,5,6,7,8,9-hexahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4aR,6aR,7R,10bR)-3,3,6a,10b-tetramethyl-4a,5,6,7,8,9-hexahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4aR,6aR,7R,10bR)-3,3,6a,10b-tetramethyl-4a,5,6,7,8,9-hexahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane is CC1(C)OC[C@@]2(C)C3=CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]3(C)CC[C@H]2O1.
What is the InChIKey of [(4aR,6aR,7R,10bR)-3,3,6a,10b-tetramethyl-4a,5,6,7,8,9-hexahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is DITSHWNMPWHNCM-YHBROIRLSA-N. The full InChI is InChI=1S/C22H40O3Si/c1-19(2,3)26(8,9)25-18-12-10-11-16-21(18,6)14-13-17-22(16,7)15-23-20(4,5)24-17/h11,17-18H,10,12-15H2,1-9H3/t17-,18-,21-,22+/m1/s1.
What are the key properties of [(4aR,6aR,7R,10bR)-3,3,6a,10b-tetramethyl-4a,5,6,7,8,9-hexahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane?
[(4aR,6aR,7R,10bR)-3,3,6a,10b-tetramethyl-4a,5,6,7,8,9-hexahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 380.65 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,6aR,7R,10bR)-3,3,6a,10b-tetramethyl-4a,5,6,7,8,9-hexahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11291955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).