[(4aR,8R,8aS)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane

C15H28O4Si — CID 134856099

IUPAC[(4aR,8R,8aS)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)OC[C@H]2OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C15H28O4Si/c1-14(2,3)20(6,7)19-11-8-9-16-12-10-17-15(4,5)18-13(11)12/h8-9,11-13H,10H2,1-7H3/t11-,12-,13-/m1/s1
InChIKeyPYHWHKQRALSXOY-JHJVBQTASA-N
MW300.47 g/mol
LogP3.44
Rot. Bonds2

About [(4aR,8R,8aS)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane

[(4aR,8R,8aS)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134856099) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is [(4aR,8R,8aS)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4aR,8R,8aS)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134856099
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name[(4aR,8R,8aS)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)OC[C@H]2OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C15H28O4Si/c1-14(2,3)20(6,7)19-11-8-9-16-12-10-17-15(4,5)18-13(11)12/h8-9,11-13H,10H2,1-7H3/t11-,12-,13-/m1/s1
InChIKeyPYHWHKQRALSXOY-JHJVBQTASA-N
XLogP3.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(4aR,8R,8aR)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-triethylsilane
CID 134940111
(4aR,8R,8aS)-2,2-ditert-butyl-8-ethenoxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline
CID 44235847
[(4aR,8R,8aR)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
CID 10961214
[(4aR,8R,8aR)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane
CID 11462014
3-O-Tert-butyldimethylsilyl-4,6-O-isopropylidene-D-glucal
CID 14352117
[(4aR,8R,8aS)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane
CID 21607911
[(2R,3R,4S)-3-[[(2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-3,4-dihydro-2H-pyran-6-yl]oxy]-2-methyl-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane
CID 134833862
lithium [(4aR,8R,8aR)-2,2-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-id-8-yl]oxy-tri(propan-2-yl)silane
CID 134905412
tert-butyl-[[(8R)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-dimethylsilane
CID 134967768
[(4aR,8S,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tri(propan-2-yl)silane
CID 134974917
lithium [(4aR,8S,8aR)-2,2-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-id-8-yl]oxy-tri(propan-2-yl)silane
CID 135050098
[(4aR,8R,8aR)-2,2-dimethyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane
CID 135077219

Frequently Asked Questions

What is the IUPAC name of [(4aR,8R,8aS)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4aR,8R,8aS)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane (CID 134856099) is [(4aR,8R,8aS)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4aR,8R,8aS)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4aR,8R,8aS)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane is CC1(C)OC[C@H]2OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1.
What is the InChIKey of [(4aR,8R,8aS)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is PYHWHKQRALSXOY-JHJVBQTASA-N. The full InChI is InChI=1S/C15H28O4Si/c1-14(2,3)20(6,7)19-11-8-9-16-12-10-17-15(4,5)18-13(11)12/h8-9,11-13H,10H2,1-7H3/t11-,12-,13-/m1/s1.
What are the key properties of [(4aR,8R,8aS)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane?
[(4aR,8R,8aS)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 300.47 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8R,8aS)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134856099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).