(5aR,9aS)-2,2-dimethyl-3,5a,7,8,9,9a-hexahydropyrano[2,3-f]oxasilepine

C10H18O2Si — CID 11458284

IUPAC(5aR,9aS)-2,2-dimethyl-3,5a,7,8,9,9a-hexahydropyrano[2,3-f]oxasilepine
SMILESC[Si]1(C)CC=C[C@H]2OCCC[C@@H]2O1
InChIInChI=1S/C10H18O2Si/c1-13(2)8-4-6-9-10(12-13)5-3-7-11-9/h4,6,9-10H,3,5,7-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyUGHHMMGXGQANCY-ZJUUUORDSA-N
MW198.34 g/mol
LogP2.33
Rot. Bonds

About (5aR,9aS)-2,2-dimethyl-3,5a,7,8,9,9a-hexahydropyrano[2,3-f]oxasilepine

(5aR,9aS)-2,2-dimethyl-3,5a,7,8,9,9a-hexahydropyrano[2,3-f]oxasilepine (PubChem CID 11458284) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is (5aR,9aS)-2,2-dimethyl-3,5a,7,8,9,9a-hexahydropyrano[2,3-f]oxasilepine.

Molecular Properties

Compound Name(5aR,9aS)-2,2-dimethyl-3,5a,7,8,9,9a-hexahydropyrano[2,3-f]oxasilepine
PubChem CID11458284
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Name(5aR,9aS)-2,2-dimethyl-3,5a,7,8,9,9a-hexahydropyrano[2,3-f]oxasilepine
SMILESC[Si]1(C)CC=C[C@H]2OCCC[C@@H]2O1
InChIInChI=1S/C10H18O2Si/c1-13(2)8-4-6-9-10(12-13)5-3-7-11-9/h4,6,9-10H,3,5,7-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyUGHHMMGXGQANCY-ZJUUUORDSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5aR,9aS)-2,2-dimethyl-3,5a,7,8,9,9a-hexahydropyrano[2,3-f]oxasilepine with MolForge

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Launch Full Analysis

Related Compounds

(Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 44397489
tert-butyl-[(2R,3R)-2-ethenyloxan-3-yl]oxy-dimethylsilane
CID 12192985
(E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 10967661
(2R,3S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxan-3-ol
CID 44397615
(Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 44420199
tert-butyl-dimethyl-[(2R,3S,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185879
tert-Butyl(dimethyl){[(1R,3s,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy}silane
CID 11333927
tert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane
CID 11096805
(Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enal
CID 11265714
trimethyl-[(E)-3-(oxan-2-yl)prop-2-enyl]silane
CID 102392643
Tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane
CID 102504792
trimethyl-[[(1S,6S)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 134889932

Frequently Asked Questions

What is the IUPAC name of (5aR,9aS)-2,2-dimethyl-3,5a,7,8,9,9a-hexahydropyrano[2,3-f]oxasilepine?
The IUPAC name of (5aR,9aS)-2,2-dimethyl-3,5a,7,8,9,9a-hexahydropyrano[2,3-f]oxasilepine (CID 11458284) is (5aR,9aS)-2,2-dimethyl-3,5a,7,8,9,9a-hexahydropyrano[2,3-f]oxasilepine.
What is the SMILES notation for (5aR,9aS)-2,2-dimethyl-3,5a,7,8,9,9a-hexahydropyrano[2,3-f]oxasilepine?
The canonical SMILES for (5aR,9aS)-2,2-dimethyl-3,5a,7,8,9,9a-hexahydropyrano[2,3-f]oxasilepine is C[Si]1(C)CC=C[C@H]2OCCC[C@@H]2O1.
What is the InChIKey of (5aR,9aS)-2,2-dimethyl-3,5a,7,8,9,9a-hexahydropyrano[2,3-f]oxasilepine?
The InChIKey is UGHHMMGXGQANCY-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-13(2)8-4-6-9-10(12-13)5-3-7-11-9/h4,6,9-10H,3,5,7-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (5aR,9aS)-2,2-dimethyl-3,5a,7,8,9,9a-hexahydropyrano[2,3-f]oxasilepine?
(5aR,9aS)-2,2-dimethyl-3,5a,7,8,9,9a-hexahydropyrano[2,3-f]oxasilepine has a molecular weight of 198.34 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR,9aS)-2,2-dimethyl-3,5a,7,8,9,9a-hexahydropyrano[2,3-f]oxasilepine is sourced from PubChem (CID 11458284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).