(6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid

C17H34O3Si — CID 54380575

IUPAC(6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid
SMILESCC(C)C(C)(C)[Si](C)(C)O[C@H](C)C=CCC(C)(C)C(=O)O
InChIInChI=1S/C17H34O3Si/c1-13(2)17(6,7)21(8,9)20-14(3)11-10-12-16(4,5)15(18)19/h10-11,13-14H,12H2,1-9H3,(H,18,19)/t14-/m1/s1
InChIKeyUZPFIFZTTTWFTK-CQSZACIVSA-N
MW314.54 g/mol
LogP5.09
Rot. Bonds8

About (6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid

(6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid (PubChem CID 54380575) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid.

Molecular Properties

Compound Name(6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid
PubChem CID54380575
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid
SMILESCC(C)C(C)(C)[Si](C)(C)O[C@H](C)C=CCC(C)(C)C(=O)O
InChIInChI=1S/C17H34O3Si/c1-13(2)17(6,7)21(8,9)20-14(3)11-10-12-16(4,5)15(18)19/h10-11,13-14H,12H2,1-9H3,(H,18,19)/t14-/m1/s1
InChIKeyUZPFIFZTTTWFTK-CQSZACIVSA-N
XLogP5.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid?
The IUPAC name of (6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid (CID 54380575) is (6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid.
What is the SMILES notation for (6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid?
The canonical SMILES for (6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid is CC(C)C(C)(C)[Si](C)(C)O[C@H](C)C=CCC(C)(C)C(=O)O.
What is the InChIKey of (6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid?
The InChIKey is UZPFIFZTTTWFTK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-13(2)17(6,7)21(8,9)20-14(3)11-10-12-16(4,5)15(18)19/h10-11,13-14H,12H2,1-9H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid?
(6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid has a molecular weight of 314.54 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid is sourced from PubChem (CID 54380575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).