(4aR,8R,8aS)-2,2-ditert-butyl-8-(methoxymethoxy)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline

C16H30O5Si — CID 164606422

IUPAC(4aR,8R,8aS)-2,2-ditert-butyl-8-(methoxymethoxy)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline
SMILESCOCO[C@@H]1C=CO[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]12
InChIInChI=1S/C16H30O5Si/c1-15(2,3)22(16(4,5)6)20-10-13-14(21-22)12(8-9-18-13)19-11-17-7/h8-9,12-14H,10-11H2,1-7H3/t12-,13-,14+/m1/s1
InChIKeyGWNKTIZQDHNJKQ-MCIONIFRSA-N
MW330.50 g/mol
LogP3.35
Rot. Bonds3

About (4aR,8R,8aS)-2,2-ditert-butyl-8-(methoxymethoxy)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline

(4aR,8R,8aS)-2,2-ditert-butyl-8-(methoxymethoxy)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline (PubChem CID 164606422) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is (4aR,8R,8aS)-2,2-ditert-butyl-8-(methoxymethoxy)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline.

Molecular Properties

Compound Name(4aR,8R,8aS)-2,2-ditert-butyl-8-(methoxymethoxy)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline
PubChem CID164606422
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name(4aR,8R,8aS)-2,2-ditert-butyl-8-(methoxymethoxy)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline
SMILESCOCO[C@@H]1C=CO[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]12
InChIInChI=1S/C16H30O5Si/c1-15(2,3)22(16(4,5)6)20-10-13-14(21-22)12(8-9-18-13)19-11-17-7/h8-9,12-14H,10-11H2,1-7H3/t12-,13-,14+/m1/s1
InChIKeyGWNKTIZQDHNJKQ-MCIONIFRSA-N
XLogP3.35
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4aR,8R,8aS)-2,2-ditert-butyl-8-(methoxymethoxy)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline?
The IUPAC name of (4aR,8R,8aS)-2,2-ditert-butyl-8-(methoxymethoxy)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline (CID 164606422) is (4aR,8R,8aS)-2,2-ditert-butyl-8-(methoxymethoxy)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline.
What is the SMILES notation for (4aR,8R,8aS)-2,2-ditert-butyl-8-(methoxymethoxy)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline?
The canonical SMILES for (4aR,8R,8aS)-2,2-ditert-butyl-8-(methoxymethoxy)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline is COCO[C@@H]1C=CO[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]12.
What is the InChIKey of (4aR,8R,8aS)-2,2-ditert-butyl-8-(methoxymethoxy)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline?
The InChIKey is GWNKTIZQDHNJKQ-MCIONIFRSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-15(2,3)22(16(4,5)6)20-10-13-14(21-22)12(8-9-18-13)19-11-17-7/h8-9,12-14H,10-11H2,1-7H3/t12-,13-,14+/m1/s1.
What are the key properties of (4aR,8R,8aS)-2,2-ditert-butyl-8-(methoxymethoxy)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline?
(4aR,8R,8aS)-2,2-ditert-butyl-8-(methoxymethoxy)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline has a molecular weight of 330.50 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8R,8aS)-2,2-ditert-butyl-8-(methoxymethoxy)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline is sourced from PubChem (CID 164606422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).