potassium (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate

C14H27KO4Si — CID 23678983

IUPACpotassium (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate
SMILESC=C(C[C@](C)(CC(=O)[O-])O[Si](C)(C)C(C)(C)C)OC.[K+]
InChIInChI=1S/C14H28O4Si.K/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);/q;+1/p-1/t14-;/m1./s1
InChIKeyJRVXNSJULKXIFZ-PFEQFJNWSA-M
MW326.55 g/mol
LogP-0.54
Rot. Bonds7

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

potassium (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate (PubChem CID 23678983) has the molecular formula C14H27KO4Si and a molecular weight of 326.55 g/mol. Its IUPAC name is potassium (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate.

Molecular Properties

Compound Namepotassium (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate
PubChem CID23678983
Molecular FormulaC14H27KO4Si
Molecular Weight326.55 g/mol
Exact Mass326.13
IUPAC Namepotassium (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate
SMILESC=C(C[C@](C)(CC(=O)[O-])O[Si](C)(C)C(C)(C)C)OC.[K+]
InChIInChI=1S/C14H28O4Si.K/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);/q;+1/p-1/t14-;/m1./s1
InChIKeyJRVXNSJULKXIFZ-PFEQFJNWSA-M
XLogP-0.54
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Launch Full Analysis

Related Compounds

[tert-butyl(dimethyl)silyl] (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate
CID 10501315
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid
CID 10758542
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoic acid
CID 10853612
potassium (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate
CID 23678600

Frequently Asked Questions

What is the IUPAC name of potassium (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate?
The IUPAC name of potassium (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate (CID 23678983) is potassium (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate.
What is the SMILES notation for potassium (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate?
The canonical SMILES for potassium (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate is C=C(C[C@](C)(CC(=O)[O-])O[Si](C)(C)C(C)(C)C)OC.[K+].
What is the InChIKey of potassium (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate?
The InChIKey is JRVXNSJULKXIFZ-PFEQFJNWSA-M. The full InChI is InChI=1S/C14H28O4Si.K/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);/q;+1/p-1/t14-;/m1./s1.
What are the key properties of potassium (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate?
potassium (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate has a molecular weight of 326.55 g/mol, XLogP of -0.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-3-methylhex-5-enoate is sourced from PubChem (CID 23678983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).