6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one

C17H32O4Si — CID 156758041

IUPAC6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
SMILESCC1(C)OC2C(=O)CC(C(C)(C)O[Si](C)(C)C(C)(C)C)C2O1
InChIInChI=1S/C17H32O4Si/c1-15(2,3)22(8,9)21-16(4,5)11-10-12(18)14-13(11)19-17(6,7)20-14/h11,13-14H,10H2,1-9H3
InChIKeyJMWQAOMWZPSYTI-UHFFFAOYSA-N
MW328.53 g/mol
LogP3.90
Rot. Bonds3

About 6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one

6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one (PubChem CID 156758041) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is 6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one.

Molecular Properties

Compound Name6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
PubChem CID156758041
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
SMILESCC1(C)OC2C(=O)CC(C(C)(C)O[Si](C)(C)C(C)(C)C)C2O1
InChIInChI=1S/C17H32O4Si/c1-15(2,3)22(8,9)21-16(4,5)11-10-12(18)14-13(11)19-17(6,7)20-14/h11,13-14H,10H2,1-9H3
InChIKeyJMWQAOMWZPSYTI-UHFFFAOYSA-N
XLogP3.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
The IUPAC name of 6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one (CID 156758041) is 6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one.
What is the SMILES notation for 6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
The canonical SMILES for 6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one is CC1(C)OC2C(=O)CC(C(C)(C)O[Si](C)(C)C(C)(C)C)C2O1.
What is the InChIKey of 6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
The InChIKey is JMWQAOMWZPSYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-15(2,3)22(8,9)21-16(4,5)11-10-12(18)14-13(11)19-17(6,7)20-14/h11,13-14H,10H2,1-9H3.
What are the key properties of 6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one has a molecular weight of 328.53 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one is sourced from PubChem (CID 156758041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).