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

C17H32O5Si — CID 10991555

IUPAC[(3aR,6R,7S,7aR)-2,2-dimethyl-6-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CCO[C@@H]1OC[C@H]2OC(C)(C)O[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O5Si/c1-9-10-18-15-14(22-23(7,8)16(2,3)4)13-12(11-19-15)20-17(5,6)21-13/h9,12-15H,1,10-11H2,2-8H3/t12-,13-,14+,15-/m1/s1
InChIKeyNKMZBHVCSOCLPM-APIJFGDWSA-N
MW344.52 g/mol
LogP3.46
Rot. Bonds5

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

[(3aR,6R,7S,7aR)-2,2-dimethyl-6-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10991555) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is [(3aR,6R,7S,7aR)-2,2-dimethyl-6-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,6R,7S,7aR)-2,2-dimethyl-6-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10991555
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Name[(3aR,6R,7S,7aR)-2,2-dimethyl-6-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CCO[C@@H]1OC[C@H]2OC(C)(C)O[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O5Si/c1-9-10-18-15-14(22-23(7,8)16(2,3)4)13-12(11-19-15)20-17(5,6)21-13/h9,12-15H,1,10-11H2,2-8H3/t12-,13-,14+,15-/m1/s1
InChIKeyNKMZBHVCSOCLPM-APIJFGDWSA-N
XLogP3.46
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(3aR,6R,7S,7aR)-2,2-dimethyl-6-prop-2-enoxy-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

TBDMS(-2)[TBDMS(-3)][TBDMS(-6)]Glc4F(a)-O-allyl
CID 140966535
[(3aR,4R,7R,7aR)-2,2-dimethyl-6-pent-4-enoxy-7-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tert-butyl-dimethylsilane
CID 134878490
[(3aR,4R,6R,7R,7aS)-6-bromo-2,2-dimethyl-7-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tert-butyl-dimethylsilane
CID 134936979
[(3aR,4R,6S,7R,7aS)-6-bromo-2,2-dimethyl-7-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tert-butyl-dimethylsilane
CID 134936980
allyl(-2)[allyl(-3)][allyl(-4)][TBDMS(-6)]Glc-O-iPr
CID 146018811
(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 164930812
[(3aS,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane
CID 10590499
[(3aS,6S,7R,7aS)-6-methoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-dimethyl-prop-2-enylsilane
CID 10659956
TBDMS(-2)[TBDMS(-3)][TBDMS(-4)][TBDMS(-6)]Glc(b)-O-allyl
CID 10794631
trimethyl-[(Z)-3-[(2R,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]oxyprop-1-enyl]silane
CID 17756440
tert-butyl-[[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 23240877
TBDMS(-2)[TBDMS(-3)][TBDMS(-4)][TBDMS(-6)]Gal(a)-O-allyl
CID 101165871

Frequently Asked Questions

What is the IUPAC name of [(3aR,6R,7S,7aR)-2,2-dimethyl-6-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,6R,7S,7aR)-2,2-dimethyl-6-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane (CID 10991555) is [(3aR,6R,7S,7aR)-2,2-dimethyl-6-prop-2-enoxy-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 [(3aR,6R,7S,7aR)-2,2-dimethyl-6-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,6R,7S,7aR)-2,2-dimethyl-6-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane is C=CCO[C@@H]1OC[C@H]2OC(C)(C)O[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3aR,6R,7S,7aR)-2,2-dimethyl-6-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is NKMZBHVCSOCLPM-APIJFGDWSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-9-10-18-15-14(22-23(7,8)16(2,3)4)13-12(11-19-15)20-17(5,6)21-13/h9,12-15H,1,10-11H2,2-8H3/t12-,13-,14+,15-/m1/s1.
What are the key properties of [(3aR,6R,7S,7aR)-2,2-dimethyl-6-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane?
[(3aR,6R,7S,7aR)-2,2-dimethyl-6-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 344.52 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6R,7S,7aR)-2,2-dimethyl-6-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10991555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).