(6E)-1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-ethylidene-1,3-diazinane-2,4-dione

C20H34N2O6Si — CID 10741119

IUPAC(6E)-1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-ethylidene-1,3-diazinane-2,4-dione
SMILESC/C=C1\CC(=O)NC(=O)N1[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C20H34N2O6Si/c1-9-12-10-14(23)21-18(24)22(12)17-16-15(27-20(5,6)28-16)13(26-17)11-25-29(7,8)19(2,3)4/h9,13,15-17H,10-11H2,1-8H3,(H,21,23,24)/b12-9+/t13-,15-,16-,17-/m1/s1
InChIKeyPVWONZXKQLAOIC-XKPWUXJZSA-N
MW426.59 g/mol
LogP3.10
Rot. Bonds4

About (6E)-1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-ethylidene-1,3-diazinane-2,4-dione

(6E)-1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-ethylidene-1,3-diazinane-2,4-dione (PubChem CID 10741119) has the molecular formula C20H34N2O6Si and a molecular weight of 426.59 g/mol. Its IUPAC name is (6E)-1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-ethylidene-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(6E)-1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-ethylidene-1,3-diazinane-2,4-dione
PubChem CID10741119
Molecular FormulaC20H34N2O6Si
Molecular Weight426.59 g/mol
Exact Mass426.22
IUPAC Name(6E)-1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-ethylidene-1,3-diazinane-2,4-dione
SMILESC/C=C1\CC(=O)NC(=O)N1[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C20H34N2O6Si/c1-9-12-10-14(23)21-18(24)22(12)17-16-15(27-20(5,6)28-16)13(26-17)11-25-29(7,8)19(2,3)4/h9,13,15-17H,10-11H2,1-8H3,(H,21,23,24)/b12-9+/t13-,15-,16-,17-/m1/s1
InChIKeyPVWONZXKQLAOIC-XKPWUXJZSA-N
XLogP3.10
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (6E)-1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-ethylidene-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

(3aS,4S,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carbaldehyde
CID 134922821
1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-(dimethylamino)pyrimidine-2,4-dione
CID 67006499
1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5,6-dihydroquinazoline-2,4-dione
CID 10389085
(3aS,4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 71314364
[(3aR,4S,6R,6aR)-4-fluoro-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
CID 23237913
9-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-amino-1H-purin-2-one
CID 11729835
7-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
CID 90703672
9-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-amino-1H-purin-6-one
CID 135867901
N-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]formamide
CID 10958508
methyl 2-[(3aR,4R,6S,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]acetate
CID 56648197
9-[(3aR,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amine
CID 168832119
(3aR,5S,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-6-carbaldehyde
CID 140772695

Frequently Asked Questions

What is the IUPAC name of (6E)-1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-ethylidene-1,3-diazinane-2,4-dione?
The IUPAC name of (6E)-1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-ethylidene-1,3-diazinane-2,4-dione (CID 10741119) is (6E)-1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-ethylidene-1,3-diazinane-2,4-dione.
What is the SMILES notation for (6E)-1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-ethylidene-1,3-diazinane-2,4-dione?
The canonical SMILES for (6E)-1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-ethylidene-1,3-diazinane-2,4-dione is C/C=C1\CC(=O)NC(=O)N1[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of (6E)-1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-ethylidene-1,3-diazinane-2,4-dione?
The InChIKey is PVWONZXKQLAOIC-XKPWUXJZSA-N. The full InChI is InChI=1S/C20H34N2O6Si/c1-9-12-10-14(23)21-18(24)22(12)17-16-15(27-20(5,6)28-16)13(26-17)11-25-29(7,8)19(2,3)4/h9,13,15-17H,10-11H2,1-8H3,(H,21,23,24)/b12-9+/t13-,15-,16-,17-/m1/s1.
What are the key properties of (6E)-1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-ethylidene-1,3-diazinane-2,4-dione?
(6E)-1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-ethylidene-1,3-diazinane-2,4-dione has a molecular weight of 426.59 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-ethylidene-1,3-diazinane-2,4-dione is sourced from PubChem (CID 10741119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).