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

C17H34O5Si — CID 67266110

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)hexanoic acid
SMILESCCC[C@@H](O[Si](C)(C)C(C)(C)C)C(C(=O)O)C1COC(C)(C)O1
InChIInChI=1S/C17H34O5Si/c1-9-10-12(22-23(7,8)16(2,3)4)14(15(18)19)13-11-20-17(5,6)21-13/h12-14H,9-11H2,1-8H3,(H,18,19)/t12-,13?,14?/m1/s1
InChIKeyVLGYHNGAYVWIKO-IYXRBSQSSA-N
MW346.54 g/mol
LogP4.03
Rot. Bonds7

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

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)hexanoic acid (PubChem CID 67266110) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)hexanoic acid.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)hexanoic acid
PubChem CID67266110
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)hexanoic acid
SMILESCCC[C@@H](O[Si](C)(C)C(C)(C)C)C(C(=O)O)C1COC(C)(C)O1
InChIInChI=1S/C17H34O5Si/c1-9-10-12(22-23(7,8)16(2,3)4)14(15(18)19)13-11-20-17(5,6)21-13/h12-14H,9-11H2,1-8H3,(H,18,19)/t12-,13?,14?/m1/s1
InChIKeyVLGYHNGAYVWIKO-IYXRBSQSSA-N
XLogP4.03
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
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 (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)hexanoic acid?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)hexanoic acid (CID 67266110) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)hexanoic acid.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)hexanoic acid?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)hexanoic acid is CCC[C@@H](O[Si](C)(C)C(C)(C)C)C(C(=O)O)C1COC(C)(C)O1.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)hexanoic acid?
The InChIKey is VLGYHNGAYVWIKO-IYXRBSQSSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-9-10-12(22-23(7,8)16(2,3)4)14(15(18)19)13-11-20-17(5,6)21-13/h12-14H,9-11H2,1-8H3,(H,18,19)/t12-,13?,14?/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)hexanoic acid?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)hexanoic acid has a molecular weight of 346.54 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)hexanoic acid is sourced from PubChem (CID 67266110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).