[(3aS,6S)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane

C15H30O5Si — CID 138966083

IUPAC[(3aS,6S)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
SMILESCO[C@H]1OC[C@@H]2OC(C)(C)OC2C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O5Si/c1-14(2,3)21(7,8)20-12-11-10(9-17-13(12)16-6)18-15(4,5)19-11/h10-13H,9H2,1-8H3/t10-,11?,12?,13-/m0/s1
InChIKeyAEICCPZMEUOLKL-WTIISPKJSA-N
MW318.49 g/mol
LogP2.90
Rot. Bonds3

About [(3aS,6S)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane

[(3aS,6S)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 138966083) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is [(3aS,6S)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,6S)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
PubChem CID138966083
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name[(3aS,6S)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
SMILESCO[C@H]1OC[C@@H]2OC(C)(C)OC2C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O5Si/c1-14(2,3)21(7,8)20-12-11-10(9-17-13(12)16-6)18-15(4,5)19-11/h10-13H,9H2,1-8H3/t10-,11?,12?,13-/m0/s1
InChIKeyAEICCPZMEUOLKL-WTIISPKJSA-N
XLogP2.90
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(3aS,6S)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

trimethyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane
CID 11099635
[(3aS,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl] nitrate
CID 11035476
(3aS,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol
CID 14374539
Tert-butyl-dimethyl-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methoxy]silane
CID 85432986
(3aS,4R,7aS)-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 101075513
(3aR,4R,7aS)-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 102302657
tert-butyl-dimethyl-[[(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane
CID 134841104
[(3aS,4S,6S,7S,7aR)-6-(iodomethyl)-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-triethylsilane
CID 134851103
TBDMS(-2)[TBDMS(-3)][TBDMS(-5)]b-Ribf1Me
CID 146020058
TBDMS(-2)[TBDMS(-5)]3-deoxy-b-D-eryPenf1Me
CID 146020064
TBDMS(-3)[TBDMS(-5)]2-deoxy-b-D-eryPenf1Me
CID 146020066
(2R,8R)-4,4-diethyl-8-methoxy-11,11-dimethyl-3,7,10,12-tetraoxa-4-silatricyclo[7.3.0.02,6]dodecane
CID 164670887

Frequently Asked Questions

What is the IUPAC name of [(3aS,6S)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aS,6S)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane (CID 138966083) is [(3aS,6S)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,6S)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,6S)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane is CO[C@H]1OC[C@@H]2OC(C)(C)OC2C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3aS,6S)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is AEICCPZMEUOLKL-WTIISPKJSA-N. The full InChI is InChI=1S/C15H30O5Si/c1-14(2,3)21(7,8)20-12-11-10(9-17-13(12)16-6)18-15(4,5)19-11/h10-13H,9H2,1-8H3/t10-,11?,12?,13-/m0/s1.
What are the key properties of [(3aS,6S)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
[(3aS,6S)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 318.49 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6S)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 138966083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).