[(3R,3aS,4R)-1,1-bis(methoxymethyl)-3-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methyl-trimethylsilane

C18H36O2Si — CID 101436400

IUPAC[(3R,3aS,4R)-1,1-bis(methoxymethyl)-3-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methyl-trimethylsilane
SMILESCOCC1(COC)C[C@@H](C)[C@H]2C1CCC[C@H]2C[Si](C)(C)C
InChIInChI=1S/C18H36O2Si/c1-14-10-18(12-19-2,13-20-3)16-9-7-8-15(17(14)16)11-21(4,5)6/h14-17H,7-13H2,1-6H3/t14-,15+,16?,17-/m1/s1
InChIKeyYYCAYISMFJSHCO-FCLJQHQZSA-N
MW312.57 g/mol
LogP4.68
Rot. Bonds6

About [(3R,3aS,4R)-1,1-bis(methoxymethyl)-3-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methyl-trimethylsilane

[(3R,3aS,4R)-1,1-bis(methoxymethyl)-3-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methyl-trimethylsilane (PubChem CID 101436400) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is [(3R,3aS,4R)-1,1-bis(methoxymethyl)-3-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methyl-trimethylsilane.

Molecular Properties

Compound Name[(3R,3aS,4R)-1,1-bis(methoxymethyl)-3-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methyl-trimethylsilane
PubChem CID101436400
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name[(3R,3aS,4R)-1,1-bis(methoxymethyl)-3-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methyl-trimethylsilane
SMILESCOCC1(COC)C[C@@H](C)[C@H]2C1CCC[C@H]2C[Si](C)(C)C
InChIInChI=1S/C18H36O2Si/c1-14-10-18(12-19-2,13-20-3)16-9-7-8-15(17(14)16)11-21(4,5)6/h14-17H,7-13H2,1-6H3/t14-,15+,16?,17-/m1/s1
InChIKeyYYCAYISMFJSHCO-FCLJQHQZSA-N
XLogP4.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.57
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 19105347
trimethyl-[[(3R)-4-methyloxolan-3-yl]methyl]silane
CID 135056830
2-chloro-1,1-bis(methoxymethyl)cyclobutane
CID 141062332
cyclopropyl-[1-(methoxymethyl)-2,6-dimethylcyclohexyl]methanone
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CID 12564478
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CID 169019424
3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane
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CID 106361521

Frequently Asked Questions

What is the IUPAC name of [(3R,3aS,4R)-1,1-bis(methoxymethyl)-3-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methyl-trimethylsilane?
The IUPAC name of [(3R,3aS,4R)-1,1-bis(methoxymethyl)-3-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methyl-trimethylsilane (CID 101436400) is [(3R,3aS,4R)-1,1-bis(methoxymethyl)-3-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methyl-trimethylsilane.
What is the SMILES notation for [(3R,3aS,4R)-1,1-bis(methoxymethyl)-3-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methyl-trimethylsilane?
The canonical SMILES for [(3R,3aS,4R)-1,1-bis(methoxymethyl)-3-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methyl-trimethylsilane is COCC1(COC)C[C@@H](C)[C@H]2C1CCC[C@H]2C[Si](C)(C)C.
What is the InChIKey of [(3R,3aS,4R)-1,1-bis(methoxymethyl)-3-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methyl-trimethylsilane?
The InChIKey is YYCAYISMFJSHCO-FCLJQHQZSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-14-10-18(12-19-2,13-20-3)16-9-7-8-15(17(14)16)11-21(4,5)6/h14-17H,7-13H2,1-6H3/t14-,15+,16?,17-/m1/s1.
What are the key properties of [(3R,3aS,4R)-1,1-bis(methoxymethyl)-3-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methyl-trimethylsilane?
[(3R,3aS,4R)-1,1-bis(methoxymethyl)-3-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methyl-trimethylsilane has a molecular weight of 312.57 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aS,4R)-1,1-bis(methoxymethyl)-3-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-yl]methyl-trimethylsilane is sourced from PubChem (CID 101436400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).