[(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate

C22H44O3Si — CID 11794464

IUPAC[(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate
SMILESC=C[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)COC(=O)C(C)(C)C
InChIInChI=1S/C22H44O3Si/c1-13-18(8)20(19(9)14-24-21(23)22(10,11)12)25-26(15(2)3,16(4)5)17(6)7/h13,15-20H,1,14H2,2-12H3/t18-,19-,20-/m1/s1
InChIKeyGGGJFLNSXOJSNP-VAMGGRTRSA-N
MW384.68 g/mol
LogP6.59
Rot. Bonds10

About [(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate

[(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate (PubChem CID 11794464) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is [(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate
PubChem CID11794464
Molecular FormulaC22H44O3Si
Molecular Weight384.68 g/mol
Exact Mass384.31
IUPAC Name[(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate
SMILESC=C[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)COC(=O)C(C)(C)C
InChIInChI=1S/C22H44O3Si/c1-13-18(8)20(19(9)14-24-21(23)22(10,11)12)25-26(15(2)3,16(4)5)17(6)7/h13,15-20H,1,14H2,2-12H3/t18-,19-,20-/m1/s1
InChIKeyGGGJFLNSXOJSNP-VAMGGRTRSA-N
XLogP6.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate with MolForge

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Launch Full Analysis

Related Compounds

[(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyloct-7-enyl] 2,2-dimethylpropanoate
CID 10667904
[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] 2,2-dimethylpropanoate
CID 53304622
[(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate
CID 53343505
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,3-dimethylhept-6-en-2-yl] acetate
CID 134831842
[(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl] acetate
CID 134887120
[(3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-yl] prop-2-enoate
CID 16726241
[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enyl] 2,2-dimethylpropanoate
CID 10696242
[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] 2,2-dimethylpropanoate
CID 10734930
[(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl] prop-2-enoate
CID 11186056
[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodohex-5-enyl] 2,2-dimethylpropanoate
CID 11224448
[(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-yl] prop-2-enoate
CID 11392378
[(6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] acetate
CID 11414961

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate (CID 11794464) is [(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate is C=C[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)COC(=O)C(C)(C)C.
What is the InChIKey of [(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate?
The InChIKey is GGGJFLNSXOJSNP-VAMGGRTRSA-N. The full InChI is InChI=1S/C22H44O3Si/c1-13-18(8)20(19(9)14-24-21(23)22(10,11)12)25-26(15(2)3,16(4)5)17(6)7/h13,15-20H,1,14H2,2-12H3/t18-,19-,20-/m1/s1.
What are the key properties of [(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate?
[(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate has a molecular weight of 384.68 g/mol, XLogP of 6.59, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11794464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).