[(4aR,6S,7R,8aS)-2,2-dimethyl-6-prop-2-enyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane

C18H34O4Si — CID 11393734

IUPAC[(4aR,6S,7R,8aS)-2,2-dimethyl-6-prop-2-enyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CC[C@@H]1O[C@@H]2COC(C)(C)O[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O4Si/c1-9-10-13-15(22-23(7,8)17(2,3)4)11-14-16(20-13)12-19-18(5,6)21-14/h9,13-16H,1,10-12H2,2-8H3/t13-,14-,15+,16+/m0/s1
InChIKeyJPBODJVHNSRXDQ-CAOSSQGBSA-N
MW342.55 g/mol
LogP4.26
Rot. Bonds4

About [(4aR,6S,7R,8aS)-2,2-dimethyl-6-prop-2-enyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane

[(4aR,6S,7R,8aS)-2,2-dimethyl-6-prop-2-enyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11393734) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is [(4aR,6S,7R,8aS)-2,2-dimethyl-6-prop-2-enyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4aR,6S,7R,8aS)-2,2-dimethyl-6-prop-2-enyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11393734
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name[(4aR,6S,7R,8aS)-2,2-dimethyl-6-prop-2-enyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CC[C@@H]1O[C@@H]2COC(C)(C)O[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O4Si/c1-9-10-13-15(22-23(7,8)17(2,3)4)11-14-16(20-13)12-19-18(5,6)21-14/h9,13-16H,1,10-12H2,2-8H3/t13-,14-,15+,16+/m0/s1
InChIKeyJPBODJVHNSRXDQ-CAOSSQGBSA-N
XLogP4.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.26
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'}

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Frequently Asked Questions

What is the IUPAC name of [(4aR,6S,7R,8aS)-2,2-dimethyl-6-prop-2-enyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4aR,6S,7R,8aS)-2,2-dimethyl-6-prop-2-enyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane (CID 11393734) is [(4aR,6S,7R,8aS)-2,2-dimethyl-6-prop-2-enyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4aR,6S,7R,8aS)-2,2-dimethyl-6-prop-2-enyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4aR,6S,7R,8aS)-2,2-dimethyl-6-prop-2-enyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane is C=CC[C@@H]1O[C@@H]2COC(C)(C)O[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4aR,6S,7R,8aS)-2,2-dimethyl-6-prop-2-enyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is JPBODJVHNSRXDQ-CAOSSQGBSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-9-10-13-15(22-23(7,8)17(2,3)4)11-14-16(20-13)12-19-18(5,6)21-14/h9,13-16H,1,10-12H2,2-8H3/t13-,14-,15+,16+/m0/s1.
What are the key properties of [(4aR,6S,7R,8aS)-2,2-dimethyl-6-prop-2-enyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane?
[(4aR,6S,7R,8aS)-2,2-dimethyl-6-prop-2-enyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 342.55 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,6S,7R,8aS)-2,2-dimethyl-6-prop-2-enyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11393734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).