(5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid

C16H32O3Si — CID 56978926

IUPAC(5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
SMILESC[C@@H](CC=C(C(=O)O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-12(19-20(8,9)16(5,6)7)10-11-13(14(17)18)15(2,3)4/h11-12H,10H2,1-9H3,(H,17,18)/t12-/m0/s1
InChIKeyMHNGRCWTRGUNCI-LBPRGKRZSA-N
MW300.52 g/mol
LogP4.84
Rot. Bonds5

About (5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid

(5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid (PubChem CID 56978926) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is (5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid.

Molecular Properties

Compound Name(5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
PubChem CID56978926
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name(5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
SMILESC[C@@H](CC=C(C(=O)O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-12(19-20(8,9)16(5,6)7)10-11-13(14(17)18)15(2,3)4/h11-12H,10H2,1-9H3,(H,17,18)/t12-/m0/s1
InChIKeyMHNGRCWTRGUNCI-LBPRGKRZSA-N
XLogP4.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid?
The IUPAC name of (5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid (CID 56978926) is (5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid.
What is the SMILES notation for (5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid?
The canonical SMILES for (5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid is C[C@@H](CC=C(C(=O)O)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid?
The InChIKey is MHNGRCWTRGUNCI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-12(19-20(8,9)16(5,6)7)10-11-13(14(17)18)15(2,3)4/h11-12H,10H2,1-9H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid?
(5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid has a molecular weight of 300.52 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid is sourced from PubChem (CID 56978926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).