propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-(methoxymethoxy)pentanoate

C16H34O6Si — CID 16719806

IUPACpropan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-(methoxymethoxy)pentanoate
SMILESCOCOC(CC(=O)OC(C)C)C(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O6Si/c1-12(2)22-15(18)9-14(20-11-19-6)13(17)10-21-23(7,8)16(3,4)5/h12-14,17H,9-11H2,1-8H3
InChIKeyCWGYUKLHNXHBRU-UHFFFAOYSA-N
MW350.53 g/mol
LogP2.70
Rot. Bonds10

About propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-(methoxymethoxy)pentanoate

propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-(methoxymethoxy)pentanoate (PubChem CID 16719806) has the molecular formula C16H34O6Si and a molecular weight of 350.53 g/mol. Its IUPAC name is propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-(methoxymethoxy)pentanoate.

Molecular Properties

Compound Namepropan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-(methoxymethoxy)pentanoate
PubChem CID16719806
Molecular FormulaC16H34O6Si
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC Namepropan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-(methoxymethoxy)pentanoate
SMILESCOCOC(CC(=O)OC(C)C)C(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O6Si/c1-12(2)22-15(18)9-14(20-11-19-6)13(17)10-21-23(7,8)16(3,4)5/h12-14,17H,9-11H2,1-8H3
InChIKeyCWGYUKLHNXHBRU-UHFFFAOYSA-N
XLogP2.70
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-(methoxymethoxy)pentanoate?
The IUPAC name of propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-(methoxymethoxy)pentanoate (CID 16719806) is propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-(methoxymethoxy)pentanoate.
What is the SMILES notation for propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-(methoxymethoxy)pentanoate?
The canonical SMILES for propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-(methoxymethoxy)pentanoate is COCOC(CC(=O)OC(C)C)C(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-(methoxymethoxy)pentanoate?
The InChIKey is CWGYUKLHNXHBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O6Si/c1-12(2)22-15(18)9-14(20-11-19-6)13(17)10-21-23(7,8)16(3,4)5/h12-14,17H,9-11H2,1-8H3.
What are the key properties of propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-(methoxymethoxy)pentanoate?
propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-(methoxymethoxy)pentanoate has a molecular weight of 350.53 g/mol, XLogP of 2.70, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-3-(methoxymethoxy)pentanoate is sourced from PubChem (CID 16719806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).