(4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid

C13H26O3Si — CID 51003300

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid
SMILESC=CC[C@H](CCC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-7-8-11(9-10-12(14)15)16-17(5,6)13(2,3)4/h7,11H,1,8-10H2,2-6H3,(H,14,15)/t11-/m1/s1
InChIKeyXWADHNMTXAGABO-LLVKDONJSA-N
MW258.43 g/mol
LogP3.82
Rot. Bonds7

About (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid

(4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid (PubChem CID 51003300) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid
PubChem CID51003300
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid
SMILESC=CC[C@H](CCC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-7-8-11(9-10-12(14)15)16-17(5,6)13(2,3)4/h7,11H,1,8-10H2,2-6H3,(H,14,15)/t11-/m1/s1
InChIKeyXWADHNMTXAGABO-LLVKDONJSA-N
XLogP3.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.82
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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Related Compounds

(R)-3-(tert-Butyldimethylsilyloxy)-5-hexenoic acid
CID 14110578
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577
6-[Tert-butyl(dimethyl)silyl]oxy-4-methylidenehexanoic acid
CID 46188081
(4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 72708009
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-6-enoic acid
CID 89948722
3-[Tert-butyl(dimethyl)silyl]oxy-2-methylhept-6-enoic acid
CID 123601416
6-Bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 145483281
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodohex-5-enoic acid
CID 24766118
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid
CID 44550186
6-[Tert-butyl(dimethyl)silyl]oxy-2-ethenylhexanoic acid
CID 132520568

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid (CID 51003300) is (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid is C=CC[C@H](CCC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid?
The InChIKey is XWADHNMTXAGABO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-7-8-11(9-10-12(14)15)16-17(5,6)13(2,3)4/h7,11H,1,8-10H2,2-6H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid?
(4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid has a molecular weight of 258.43 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid is sourced from PubChem (CID 51003300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).