(2,2-dimethyl-1,3-dioxolan-4-yl) (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate

C17H34O5Si — CID 67266112

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl) (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate
SMILESCCC[C@H](CC(=O)OC1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O5Si/c1-9-10-13(22-23(7,8)16(2,3)4)11-14(18)20-15-12-19-17(5,6)21-15/h13,15H,9-12H2,1-8H3/t13-,15?/m1/s1
InChIKeyZEJCVBQFENMICA-AFYYWNPRSA-N
MW346.54 g/mol
LogP4.22
Rot. Bonds7

About (2,2-dimethyl-1,3-dioxolan-4-yl) (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate

(2,2-dimethyl-1,3-dioxolan-4-yl) (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate (PubChem CID 67266112) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl) (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl) (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate
PubChem CID67266112
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl) (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate
SMILESCCC[C@H](CC(=O)OC1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O5Si/c1-9-10-13(22-23(7,8)16(2,3)4)11-14(18)20-15-12-19-17(5,6)21-15/h13,15H,9-12H2,1-8H3/t13-,15?/m1/s1
InChIKeyZEJCVBQFENMICA-AFYYWNPRSA-N
XLogP4.22
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (2,2-dimethyl-1,3-dioxolan-4-yl) (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl) (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate (CID 67266112) is (2,2-dimethyl-1,3-dioxolan-4-yl) (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl) (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl) (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate is CCC[C@H](CC(=O)OC1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl) (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate?
The InChIKey is ZEJCVBQFENMICA-AFYYWNPRSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-9-10-13(22-23(7,8)16(2,3)4)11-14(18)20-15-12-19-17(5,6)21-15/h13,15H,9-12H2,1-8H3/t13-,15?/m1/s1.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl) (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate?
(2,2-dimethyl-1,3-dioxolan-4-yl) (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate has a molecular weight of 346.54 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl) (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate is sourced from PubChem (CID 67266112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).