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

C14H26O4Si — CID 11077010

IUPAC(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-ol
SMILESCC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2OC=C[C@@H](O)[C@@H]2O1
InChIInChI=1S/C14H26O4Si/c1-13(2,3)19(14(4,5)6)17-9-11-12(18-19)10(15)7-8-16-11/h7-8,10-12,15H,9H2,1-6H3/t10-,11-,12+/m1/s1
InChIKeyLZSKFMZUUWAXHF-UTUOFQBUSA-N
MW286.44 g/mol
LogP2.72
Rot. Bonds

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

(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-ol (PubChem CID 11077010) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is (4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-ol.

Molecular Properties

Compound Name(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-ol
PubChem CID11077010
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-ol
SMILESCC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2OC=C[C@@H](O)[C@@H]2O1
InChIInChI=1S/C14H26O4Si/c1-13(2,3)19(14(4,5)6)17-9-11-12(18-19)10(15)7-8-16-11/h7-8,10-12,15H,9H2,1-6H3/t10-,11-,12+/m1/s1
InChIKeyLZSKFMZUUWAXHF-UTUOFQBUSA-N
XLogP2.72
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-ol?
The IUPAC name of (4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-ol (CID 11077010) is (4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-ol.
What is the SMILES notation for (4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-ol?
The canonical SMILES for (4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-ol is CC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2OC=C[C@@H](O)[C@@H]2O1.
What is the InChIKey of (4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-ol?
The InChIKey is LZSKFMZUUWAXHF-UTUOFQBUSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-13(2,3)19(14(4,5)6)17-9-11-12(18-19)10(15)7-8-16-11/h7-8,10-12,15H,9H2,1-6H3/t10-,11-,12+/m1/s1.
What are the key properties of (4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-ol?
(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-ol has a molecular weight of 286.44 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-ol is sourced from PubChem (CID 11077010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).