(3aR,6S,6aR)-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 126970217

IUPAC(3aR,6S,6aR)-6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
SMILESCC1(C)O[C@H]2[C@@H](O1)C(=O)C[C@@H]2C(C)(C)O[Si](C)(C)C(C)(C)C
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/t11-,13+,14-/m0/s1
InChIKeyJMWQAOMWZPSYTI-YUTCNCBUSA-N
MW328.53 g/mol
LogP3.90
Rot. Bonds3

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

(3aR,6S,6aR)-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 126970217) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is (3aR,6S,6aR)-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 Name(3aR,6S,6aR)-6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
PubChem CID126970217
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name(3aR,6S,6aR)-6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
SMILESCC1(C)O[C@H]2[C@@H](O1)C(=O)C[C@@H]2C(C)(C)O[Si](C)(C)C(C)(C)C
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/t11-,13+,14-/m0/s1
InChIKeyJMWQAOMWZPSYTI-YUTCNCBUSA-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 (3aR,6S,6aR)-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 (3aR,6S,6aR)-6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one (CID 126970217) is (3aR,6S,6aR)-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 (3aR,6S,6aR)-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 (3aR,6S,6aR)-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)O[C@H]2[C@@H](O1)C(=O)C[C@@H]2C(C)(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3aR,6S,6aR)-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-YUTCNCBUSA-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/t11-,13+,14-/m0/s1.
What are the key properties of (3aR,6S,6aR)-6-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one?
(3aR,6S,6aR)-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 (3aR,6S,6aR)-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 126970217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).