(6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid

C15H30O3Si — CID 56612824

IUPAC(6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid
SMILESC[C@H](C=CCC(C)(C)C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-12(18-19(7,8)14(2,3)4)10-9-11-15(5,6)13(16)17/h9-10,12H,11H2,1-8H3,(H,16,17)/t12-/m1/s1
InChIKeyYFCKDTODIAKCPP-GFCCVEGCSA-N
MW286.49 g/mol
LogP4.45
Rot. Bonds6

About (6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid

(6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid (PubChem CID 56612824) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is (6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid.

Molecular Properties

Compound Name(6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid
PubChem CID56612824
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name(6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid
SMILESC[C@H](C=CCC(C)(C)C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-12(18-19(7,8)14(2,3)4)10-9-11-15(5,6)13(16)17/h9-10,12H,11H2,1-8H3,(H,16,17)/t12-/m1/s1
InChIKeyYFCKDTODIAKCPP-GFCCVEGCSA-N
XLogP4.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.45
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-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid?
The IUPAC name of (6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid (CID 56612824) is (6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid.
What is the SMILES notation for (6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid?
The canonical SMILES for (6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid is C[C@H](C=CCC(C)(C)C(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid?
The InChIKey is YFCKDTODIAKCPP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-12(18-19(7,8)14(2,3)4)10-9-11-15(5,6)13(16)17/h9-10,12H,11H2,1-8H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid?
(6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid has a molecular weight of 286.49 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhept-4-enoic acid is sourced from PubChem (CID 56612824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).