tert-butyl-[(5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methoxy]-dimethylsilane

C14H28ClNO3Si — CID 146157364

IUPACtert-butyl-[(5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methoxy]-dimethylsilane
SMILESCC1(C)OC2CN(Cl)C(CO[Si](C)(C)C(C)(C)C)C2O1
InChIInChI=1S/C14H28ClNO3Si/c1-13(2,3)20(6,7)17-9-10-12-11(8-16(10)15)18-14(4,5)19-12/h10-12H,8-9H2,1-7H3
InChIKeyXZTYYFYYSCDTKU-UHFFFAOYSA-N
MW321.92 g/mol
LogP3.37
Rot. Bonds3

About tert-butyl-[(5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methoxy]-dimethylsilane

tert-butyl-[(5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methoxy]-dimethylsilane (PubChem CID 146157364) has the molecular formula C14H28ClNO3Si and a molecular weight of 321.92 g/mol. Its IUPAC name is tert-butyl-[(5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methoxy]-dimethylsilane
PubChem CID146157364
Molecular FormulaC14H28ClNO3Si
Molecular Weight321.92 g/mol
Exact Mass321.15
IUPAC Nametert-butyl-[(5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methoxy]-dimethylsilane
SMILESCC1(C)OC2CN(Cl)C(CO[Si](C)(C)C(C)(C)C)C2O1
InChIInChI=1S/C14H28ClNO3Si/c1-13(2,3)20(6,7)17-9-10-12-11(8-16(10)15)18-14(4,5)19-12/h10-12H,8-9H2,1-7H3
InChIKeyXZTYYFYYSCDTKU-UHFFFAOYSA-N
XLogP3.37
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.92
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methoxy]-dimethylsilane (CID 146157364) is tert-butyl-[(5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methoxy]-dimethylsilane is CC1(C)OC2CN(Cl)C(CO[Si](C)(C)C(C)(C)C)C2O1.
What is the InChIKey of tert-butyl-[(5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methoxy]-dimethylsilane?
The InChIKey is XZTYYFYYSCDTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClNO3Si/c1-13(2,3)20(6,7)17-9-10-12-11(8-16(10)15)18-14(4,5)19-12/h10-12H,8-9H2,1-7H3.
What are the key properties of tert-butyl-[(5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methoxy]-dimethylsilane?
tert-butyl-[(5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methoxy]-dimethylsilane has a molecular weight of 321.92 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 146157364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).