methyl 2-[(6aR,8S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]acetate

C20H40O6Si2 — CID 132544498

IUPACmethyl 2-[(6aR,8S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]acetate
SMILESCOC(=O)C[C@@H]1C[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O1
InChIInChI=1S/C20H40O6Si2/c1-13(2)27(14(3)4)23-12-19-18(10-17(24-19)11-20(21)22-9)25-28(26-27,15(5)6)16(7)8/h13-19H,10-12H2,1-9H3/t17-,18-,19+/m0/s1
InChIKeyGHSZZCMWQNARDS-GBESFXJTSA-N
MW432.71 g/mol
LogP4.66
Rot. Bonds6

About methyl 2-[(6aR,8S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]acetate

methyl 2-[(6aR,8S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]acetate (PubChem CID 132544498) has the molecular formula C20H40O6Si2 and a molecular weight of 432.71 g/mol. Its IUPAC name is methyl 2-[(6aR,8S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(6aR,8S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]acetate
PubChem CID132544498
Molecular FormulaC20H40O6Si2
Molecular Weight432.71 g/mol
Exact Mass432.24
IUPAC Namemethyl 2-[(6aR,8S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]acetate
SMILESCOC(=O)C[C@@H]1C[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O1
InChIInChI=1S/C20H40O6Si2/c1-13(2)27(14(3)4)23-12-19-18(10-17(24-19)11-20(21)22-9)25-28(26-27,15(5)6)16(7)8/h13-19H,10-12H2,1-9H3/t17-,18-,19+/m0/s1
InChIKeyGHSZZCMWQNARDS-GBESFXJTSA-N
XLogP4.66
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.71
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[(6aR,8S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]acetate with MolForge

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Related Compounds

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(2R,3S,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 71733140
(2R,3S,3aR,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
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CID 10525184
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6aR,8S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]acetate?
The IUPAC name of methyl 2-[(6aR,8S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]acetate (CID 132544498) is methyl 2-[(6aR,8S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]acetate.
What is the SMILES notation for methyl 2-[(6aR,8S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]acetate?
The canonical SMILES for methyl 2-[(6aR,8S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]acetate is COC(=O)C[C@@H]1C[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O1.
What is the InChIKey of methyl 2-[(6aR,8S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]acetate?
The InChIKey is GHSZZCMWQNARDS-GBESFXJTSA-N. The full InChI is InChI=1S/C20H40O6Si2/c1-13(2)27(14(3)4)23-12-19-18(10-17(24-19)11-20(21)22-9)25-28(26-27,15(5)6)16(7)8/h13-19H,10-12H2,1-9H3/t17-,18-,19+/m0/s1.
What are the key properties of methyl 2-[(6aR,8S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]acetate?
methyl 2-[(6aR,8S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]acetate has a molecular weight of 432.71 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6aR,8S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]acetate is sourced from PubChem (CID 132544498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).