(4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid

C12H24O3Si — CID 72708009

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
SMILESC=C[C@H](CCC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-7-10(8-9-11(13)14)15-16(5,6)12(2,3)4/h7,10H,1,8-9H2,2-6H3,(H,13,14)/t10-/m1/s1
InChIKeyLHARKHOQVIFHMI-SNVBAGLBSA-N
MW244.41 g/mol
LogP3.43
Rot. Bonds6

About (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid

(4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid (PubChem CID 72708009) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
PubChem CID72708009
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
SMILESC=C[C@H](CCC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-7-10(8-9-11(13)14)15-16(5,6)12(2,3)4/h7,10H,1,8-9H2,2-6H3,(H,13,14)/t10-/m1/s1
InChIKeyLHARKHOQVIFHMI-SNVBAGLBSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.43
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
5-Hexenoic acid, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (2R)-
CID 11459212
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577
(S)-3-((tert-Butyldimethylsilyl)oxy)pent-4-enoic acid
CID 24938600
(4S)-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoic acid
CID 51003300
3-[Tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
CID 44614149
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate
CID 56964829
methyl (E,4S)-6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 59372907
(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
CID 66561844
Methyl 6-bromo-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate
CID 72273544
2-[Tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 72969892
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate
CID 76451001

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid (CID 72708009) is (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid is C=C[C@H](CCC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid?
The InChIKey is LHARKHOQVIFHMI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-7-10(8-9-11(13)14)15-16(5,6)12(2,3)4/h7,10H,1,8-9H2,2-6H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid?
(4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid has a molecular weight of 244.41 g/mol, XLogP of 3.43, 6 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]oxyhex-5-enoic acid is sourced from PubChem (CID 72708009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).