2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dioxolan-2-yl)butanoate

C17H34O5Si — CID 10497801

IUPAC2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dioxolan-2-yl)butanoate
SMILESCC(C)COC(=O)C[C@H](CC1OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O5Si/c1-13(2)12-21-15(18)10-14(11-16-19-8-9-20-16)22-23(6,7)17(3,4)5/h13-14,16H,8-12H2,1-7H3/t14-/m1/s1
InChIKeyHTARNOCDXCHZDK-CQSZACIVSA-N
MW346.54 g/mol
LogP3.73
Rot. Bonds8

About 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dioxolan-2-yl)butanoate

2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dioxolan-2-yl)butanoate (PubChem CID 10497801) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dioxolan-2-yl)butanoate.

Molecular Properties

Compound Name2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dioxolan-2-yl)butanoate
PubChem CID10497801
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Name2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dioxolan-2-yl)butanoate
SMILESCC(C)COC(=O)C[C@H](CC1OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O5Si/c1-13(2)12-21-15(18)10-14(11-16-19-8-9-20-16)22-23(6,7)17(3,4)5/h13-14,16H,8-12H2,1-7H3/t14-/m1/s1
InChIKeyHTARNOCDXCHZDK-CQSZACIVSA-N
XLogP3.73
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 53.73
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-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dioxolan-2-yl)butanoate?
The IUPAC name of 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dioxolan-2-yl)butanoate (CID 10497801) is 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dioxolan-2-yl)butanoate.
What is the SMILES notation for 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dioxolan-2-yl)butanoate?
The canonical SMILES for 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dioxolan-2-yl)butanoate is CC(C)COC(=O)C[C@H](CC1OCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dioxolan-2-yl)butanoate?
The InChIKey is HTARNOCDXCHZDK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-13(2)12-21-15(18)10-14(11-16-19-8-9-20-16)22-23(6,7)17(3,4)5/h13-14,16H,8-12H2,1-7H3/t14-/m1/s1.
What are the key properties of 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dioxolan-2-yl)butanoate?
2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dioxolan-2-yl)butanoate has a molecular weight of 346.54 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dioxolan-2-yl)butanoate is sourced from PubChem (CID 10497801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).