3-[(3aS,4S,6aR)-5-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]prop-1-ynyl-trimethylsilane

C13H23NO3Si — CID 132503985

IUPAC3-[(3aS,4S,6aR)-5-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]prop-1-ynyl-trimethylsilane
SMILESCC1(C)O[C@@H]2[C@@H](CN(O)[C@H]2CC#C[Si](C)(C)C)O1
InChIInChI=1S/C13H23NO3Si/c1-13(2)16-11-9-14(15)10(12(11)17-13)7-6-8-18(3,4)5/h10-12,15H,7,9H2,1-5H3/t10-,11+,12-/m0/s1
InChIKeySEKZZTKONKAAOP-TUAOUCFPSA-N
MW269.42 g/mol
LogP1.85
Rot. Bonds1

About 3-[(3aS,4S,6aR)-5-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]prop-1-ynyl-trimethylsilane

3-[(3aS,4S,6aR)-5-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]prop-1-ynyl-trimethylsilane (PubChem CID 132503985) has the molecular formula C13H23NO3Si and a molecular weight of 269.42 g/mol. Its IUPAC name is 3-[(3aS,4S,6aR)-5-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]prop-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-[(3aS,4S,6aR)-5-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]prop-1-ynyl-trimethylsilane
PubChem CID132503985
Molecular FormulaC13H23NO3Si
Molecular Weight269.42 g/mol
Exact Mass269.14
IUPAC Name3-[(3aS,4S,6aR)-5-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]prop-1-ynyl-trimethylsilane
SMILESCC1(C)O[C@@H]2[C@@H](CN(O)[C@H]2CC#C[Si](C)(C)C)O1
InChIInChI=1S/C13H23NO3Si/c1-13(2)16-11-9-14(15)10(12(11)17-13)7-6-8-18(3,4)5/h10-12,15H,7,9H2,1-5H3/t10-,11+,12-/m0/s1
InChIKeySEKZZTKONKAAOP-TUAOUCFPSA-N
XLogP1.85
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3aS,4S,6aR)-5-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]prop-1-ynyl-trimethylsilane?
The IUPAC name of 3-[(3aS,4S,6aR)-5-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]prop-1-ynyl-trimethylsilane (CID 132503985) is 3-[(3aS,4S,6aR)-5-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]prop-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-[(3aS,4S,6aR)-5-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]prop-1-ynyl-trimethylsilane?
The canonical SMILES for 3-[(3aS,4S,6aR)-5-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]prop-1-ynyl-trimethylsilane is CC1(C)O[C@@H]2[C@@H](CN(O)[C@H]2CC#C[Si](C)(C)C)O1.
What is the InChIKey of 3-[(3aS,4S,6aR)-5-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]prop-1-ynyl-trimethylsilane?
The InChIKey is SEKZZTKONKAAOP-TUAOUCFPSA-N. The full InChI is InChI=1S/C13H23NO3Si/c1-13(2)16-11-9-14(15)10(12(11)17-13)7-6-8-18(3,4)5/h10-12,15H,7,9H2,1-5H3/t10-,11+,12-/m0/s1.
What are the key properties of 3-[(3aS,4S,6aR)-5-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]prop-1-ynyl-trimethylsilane?
3-[(3aS,4S,6aR)-5-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]prop-1-ynyl-trimethylsilane has a molecular weight of 269.42 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aS,4S,6aR)-5-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 132503985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).