[(3aS,4S,6R,6aR)-4-(methoxymethoxymethyl)-2,2-dimethyl-6-prop-2-enoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane

C20H38O7Si — CID 122369685

IUPAC[(3aS,4S,6R,6aR)-4-(methoxymethoxymethyl)-2,2-dimethyl-6-prop-2-enoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=CCO[C@@H]1O[C@@](COCOC)(CO[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C20H38O7Si/c1-10-11-23-17-15-16(26-19(5,6)25-15)20(27-17,12-22-14-21-7)13-24-28(8,9)18(2,3)4/h10,15-17H,1,11-14H2,2-9H3/t15-,16+,17-,20+/m1/s1
InChIKeyFGZCBNOAYSUPOU-YZLZLFLDSA-N
MW418.60 g/mol
LogP3.45
Rot. Bonds10

About [(3aS,4S,6R,6aR)-4-(methoxymethoxymethyl)-2,2-dimethyl-6-prop-2-enoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane

[(3aS,4S,6R,6aR)-4-(methoxymethoxymethyl)-2,2-dimethyl-6-prop-2-enoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 122369685) has the molecular formula C20H38O7Si and a molecular weight of 418.60 g/mol. Its IUPAC name is [(3aS,4S,6R,6aR)-4-(methoxymethoxymethyl)-2,2-dimethyl-6-prop-2-enoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,4S,6R,6aR)-4-(methoxymethoxymethyl)-2,2-dimethyl-6-prop-2-enoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID122369685
Molecular FormulaC20H38O7Si
Molecular Weight418.60 g/mol
Exact Mass418.24
IUPAC Name[(3aS,4S,6R,6aR)-4-(methoxymethoxymethyl)-2,2-dimethyl-6-prop-2-enoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=CCO[C@@H]1O[C@@](COCOC)(CO[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C20H38O7Si/c1-10-11-23-17-15-16(26-19(5,6)25-15)20(27-17,12-22-14-21-7)13-24-28(8,9)18(2,3)4/h10,15-17H,1,11-14H2,2-9H3/t15-,16+,17-,20+/m1/s1
InChIKeyFGZCBNOAYSUPOU-YZLZLFLDSA-N
XLogP3.45
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.60
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(3aS,4S,6R,6aR)-4-(methoxymethoxymethyl)-2,2-dimethyl-6-prop-2-enoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane 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

2-butyl-2,2',2'-trimethyl-6'-prop-2-enoxyspiro[1,3-dioxane-5,5'-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]
CID 123505465
(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 164930812
[(3aR,4S,6R,6aS)-4-ethenyl-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
CID 10959299
2-[(3aR,5R,6R,6aR)-2,2,6-trimethyl-6-prop-2-enoxy-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethoxy-tert-butyl-dimethylsilane
CID 11036091
[(3aR,5S,6R,6aR)-6-methoxy-5-(methoxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 51357192
[(3aR,5R,6R,6aR)-6-methoxy-5-(methoxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 51357193
[(3aS,4R,6S,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyl-6-(methoxymethoxymethyl)-2,2-dimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
CID 132919255

Frequently Asked Questions

What is the IUPAC name of [(3aS,4S,6R,6aR)-4-(methoxymethoxymethyl)-2,2-dimethyl-6-prop-2-enoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aS,4S,6R,6aR)-4-(methoxymethoxymethyl)-2,2-dimethyl-6-prop-2-enoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane (CID 122369685) is [(3aS,4S,6R,6aR)-4-(methoxymethoxymethyl)-2,2-dimethyl-6-prop-2-enoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,4S,6R,6aR)-4-(methoxymethoxymethyl)-2,2-dimethyl-6-prop-2-enoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,4S,6R,6aR)-4-(methoxymethoxymethyl)-2,2-dimethyl-6-prop-2-enoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane is C=CCO[C@@H]1O[C@@](COCOC)(CO[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of [(3aS,4S,6R,6aR)-4-(methoxymethoxymethyl)-2,2-dimethyl-6-prop-2-enoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is FGZCBNOAYSUPOU-YZLZLFLDSA-N. The full InChI is InChI=1S/C20H38O7Si/c1-10-11-23-17-15-16(26-19(5,6)25-15)20(27-17,12-22-14-21-7)13-24-28(8,9)18(2,3)4/h10,15-17H,1,11-14H2,2-9H3/t15-,16+,17-,20+/m1/s1.
What are the key properties of [(3aS,4S,6R,6aR)-4-(methoxymethoxymethyl)-2,2-dimethyl-6-prop-2-enoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane?
[(3aS,4S,6R,6aR)-4-(methoxymethoxymethyl)-2,2-dimethyl-6-prop-2-enoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 418.60 g/mol, XLogP of 3.45, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4S,6R,6aR)-4-(methoxymethoxymethyl)-2,2-dimethyl-6-prop-2-enoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 122369685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).