(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid

C19H40O4Si2 — CID 11406612

IUPAC(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid
SMILESC=CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C19H40O4Si2/c1-12-13-14-15(22-24(8,9)18(2,3)4)16(17(20)21)23-25(10,11)19(5,6)7/h12,15-16H,1,13-14H2,2-11H3,(H,20,21)/t15-,16-/m0/s1
InChIKeyWCHYTUHJZDHQPE-HOTGVXAUSA-N
MW388.70 g/mol
LogP5.82
Rot. Bonds9

About (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid

(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid (PubChem CID 11406612) has the molecular formula C19H40O4Si2 and a molecular weight of 388.70 g/mol. Its IUPAC name is (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid.

Molecular Properties

Compound Name(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid
PubChem CID11406612
Molecular FormulaC19H40O4Si2
Molecular Weight388.70 g/mol
Exact Mass388.25
IUPAC Name(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid
SMILESC=CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C19H40O4Si2/c1-12-13-14-15(22-24(8,9)18(2,3)4)16(17(20)21)23-25(10,11)19(5,6)7/h12,15-16H,1,13-14H2,2-11H3,(H,20,21)/t15-,16-/m0/s1
InChIKeyWCHYTUHJZDHQPE-HOTGVXAUSA-N
XLogP5.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.70
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 10883940
[(2S)-pent-4-en-2-yl] (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 11453876
3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid
CID 11058201
(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid
CID 101109246
[(2R)-pent-4-en-2-yl] (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 11048757
tert-butyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoct-7-enoate
CID 11645898

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid?
The IUPAC name of (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid (CID 11406612) is (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid.
What is the SMILES notation for (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid?
The canonical SMILES for (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid is C=CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid?
The InChIKey is WCHYTUHJZDHQPE-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H40O4Si2/c1-12-13-14-15(22-24(8,9)18(2,3)4)16(17(20)21)23-25(10,11)19(5,6)7/h12,15-16H,1,13-14H2,2-11H3,(H,20,21)/t15-,16-/m0/s1.
What are the key properties of (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid?
(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid has a molecular weight of 388.70 g/mol, XLogP of 5.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoic acid is sourced from PubChem (CID 11406612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).