4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-amine

C16H31NO3Si — CID 123223189

IUPAC4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-amine
SMILESCC1(C)OC2C(CCO[Si](C)(C)C(C)(C)C)=CC(N)C2O1
InChIInChI=1S/C16H31NO3Si/c1-15(2,3)21(6,7)18-9-8-11-10-12(17)14-13(11)19-16(4,5)20-14/h10,12-14H,8-9,17H2,1-7H3
InChIKeyDASJUZNCLBPJHD-UHFFFAOYSA-N
MW313.51 g/mol
LogP3.19
Rot. Bonds4

About 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-amine

4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-amine (PubChem CID 123223189) has the molecular formula C16H31NO3Si and a molecular weight of 313.51 g/mol. Its IUPAC name is 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-amine.

Molecular Properties

Compound Name4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-amine
PubChem CID123223189
Molecular FormulaC16H31NO3Si
Molecular Weight313.51 g/mol
Exact Mass313.21
IUPAC Name4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-amine
SMILESCC1(C)OC2C(CCO[Si](C)(C)C(C)(C)C)=CC(N)C2O1
InChIInChI=1S/C16H31NO3Si/c1-15(2,3)21(6,7)18-9-8-11-10-12(17)14-13(11)19-16(4,5)20-14/h10,12-14H,8-9,17H2,1-7H3
InChIKeyDASJUZNCLBPJHD-UHFFFAOYSA-N
XLogP3.19
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3aR,6R,6aS)-6-amino-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanol
CID 144529174

Frequently Asked Questions

What is the IUPAC name of 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-amine?
The IUPAC name of 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-amine (CID 123223189) is 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-amine.
What is the SMILES notation for 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-amine?
The canonical SMILES for 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-amine is CC1(C)OC2C(CCO[Si](C)(C)C(C)(C)C)=CC(N)C2O1.
What is the InChIKey of 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-amine?
The InChIKey is DASJUZNCLBPJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3Si/c1-15(2,3)21(6,7)18-9-8-11-10-12(17)14-13(11)19-16(4,5)20-14/h10,12-14H,8-9,17H2,1-7H3.
What are the key properties of 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-amine?
4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-amine has a molecular weight of 313.51 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-amine is sourced from PubChem (CID 123223189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).