(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid

C14H28O4Si — CID 10758542

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid
SMILESC=C(C[C@](C)(CC(=O)O)O[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C14H28O4Si/c1-11(17-6)9-14(5,10-12(15)16)18-19(7,8)13(2,3)4/h1,9-10H2,2-8H3,(H,15,16)/t14-/m1/s1
InChIKeyNKFSWJDKZSNNRW-CQSZACIVSA-N
MW288.46 g/mol
LogP3.79
Rot. Bonds7

About (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid (PubChem CID 10758542) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid
PubChem CID10758542
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid
SMILESC=C(C[C@](C)(CC(=O)O)O[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C14H28O4Si/c1-11(17-6)9-14(5,10-12(15)16)18-19(7,8)13(2,3)4/h1,9-10H2,2-8H3,(H,15,16)/t14-/m1/s1
InChIKeyNKFSWJDKZSNNRW-CQSZACIVSA-N
XLogP3.79
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-3-methylpentanoic acid
CID 105428921
2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid
CID 18962902
tert-butyl-(2,3-dimethylbut-3-en-2-yloxy)-dimethylsilane
CID 12568514
methyl 3-(dihydroxymethyl)-3-hydroxy-5-methoxyhex-5-enoate
CID 168793690
methyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-enyl]-7-methyl-3-oxooct-7-enoate
CID 102323671
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-phenylbutanoate
CID 99772457
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-phenylbutanoate
CID 99772458
tert-butyl-(5,5-dimethoxypenta-1,4-dien-2-yloxy)-dimethylsilane
CID 102083309
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate
CID 132990782
4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid
CID 89306235
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid (CID 10758542) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid is C=C(C[C@](C)(CC(=O)O)O[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid?
The InChIKey is NKFSWJDKZSNNRW-CQSZACIVSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-11(17-6)9-14(5,10-12(15)16)18-19(7,8)13(2,3)4/h1,9-10H2,2-8H3,(H,15,16)/t14-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid has a molecular weight of 288.46 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid is sourced from PubChem (CID 10758542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).