(6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine

C20H40O4Si2 — CID 177166542

IUPAC(6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
SMILESC=CCC1CO[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]12
InChIInChI=1S/C20H40O4Si2/c1-10-11-18-12-21-19-13-22-25(14(2)3,15(4)5)24-26(16(6)7,17(8)9)23-20(18)19/h10,14-20H,1,11-13H2,2-9H3/t18?,19-,20+/m1/s1
InChIKeyUMAUWECLCMGLLY-HUSUDBNBSA-N
MW400.71 g/mol
LogP5.53
Rot. Bonds6

About (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine

(6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine (PubChem CID 177166542) has the molecular formula C20H40O4Si2 and a molecular weight of 400.71 g/mol. Its IUPAC name is (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine.

Molecular Properties

Compound Name(6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
PubChem CID177166542
Molecular FormulaC20H40O4Si2
Molecular Weight400.71 g/mol
Exact Mass400.25
IUPAC Name(6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
SMILESC=CCC1CO[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]12
InChIInChI=1S/C20H40O4Si2/c1-10-11-18-12-21-19-13-22-25(14(2)3,15(4)5)24-26(16(6)7,17(8)9)23-20(18)19/h10,14-20H,1,11-13H2,2-9H3/t18?,19-,20+/m1/s1
InChIKeyUMAUWECLCMGLLY-HUSUDBNBSA-N
XLogP5.53
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.71
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6aR,8S,9aR)-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 134838049
CID 88579846
CID 88579846
CID 88579868
CID 88579868
tert-butyl-[2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-enoxy]-dimethylsilane
CID 175638923
Tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl]oxy-dimethylsilane
CID 176718331
[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 11027689
(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 71762684
tert-butyl-[[(2S,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-prop-2-enyloxolan-3-yl]methoxy]-dimethylsilane
CID 71762688
(2S,3aR,10aS)-6,6,8,8-tetra(propan-2-yl)-2-prop-2-enyl-2,3,3a,4,10,10a-hexahydrofuro[2,3-g][1,3,5,2,4]trioxadisilonine
CID 71762900
(6aR,8S,9aS)-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 101543094
2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 102110476
6,6,8,8-Tetra(propan-2-yl)-2-prop-2-enyl-2,3,3a,4,10,10a-hexahydrofuro[2,3-g][1,3,5,2,4]trioxadisilonine
CID 102110478

Frequently Asked Questions

What is the IUPAC name of (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine?
The IUPAC name of (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine (CID 177166542) is (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine.
What is the SMILES notation for (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine?
The canonical SMILES for (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine is C=CCC1CO[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]12.
What is the InChIKey of (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine?
The InChIKey is UMAUWECLCMGLLY-HUSUDBNBSA-N. The full InChI is InChI=1S/C20H40O4Si2/c1-10-11-18-12-21-19-13-22-25(14(2)3,15(4)5)24-26(16(6)7,17(8)9)23-20(18)19/h10,14-20H,1,11-13H2,2-9H3/t18?,19-,20+/m1/s1.
What are the key properties of (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine?
(6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine has a molecular weight of 400.71 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine is sourced from PubChem (CID 177166542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).