methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate

C14H28O4Si — CID 71665101

IUPACmethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate
SMILESC=CCO[C@@H](CO[Si](C)(C)C(C)(C)C)CC(=O)OC
InChIInChI=1S/C14H28O4Si/c1-8-9-17-12(10-13(15)16-5)11-18-19(6,7)14(2,3)4/h8,12H,1,9-11H2,2-7H3/t12-/m1/s1
InChIKeyNXOIQNQPTCIGKN-GFCCVEGCSA-N
MW288.46 g/mol
LogP3.14
Rot. Bonds8

About methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate

methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate (PubChem CID 71665101) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate.

Molecular Properties

Compound Namemethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate
PubChem CID71665101
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Namemethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate
SMILESC=CCO[C@@H](CO[Si](C)(C)C(C)(C)C)CC(=O)OC
InChIInChI=1S/C14H28O4Si/c1-8-9-17-12(10-13(15)16-5)11-18-19(6,7)14(2,3)4/h8,12H,1,9-11H2,2-7H3/t12-/m1/s1
InChIKeyNXOIQNQPTCIGKN-GFCCVEGCSA-N
XLogP3.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate?
The IUPAC name of methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate (CID 71665101) is methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate.
What is the SMILES notation for methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate?
The canonical SMILES for methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate is C=CCO[C@@H](CO[Si](C)(C)C(C)(C)C)CC(=O)OC.
What is the InChIKey of methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate?
The InChIKey is NXOIQNQPTCIGKN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-8-9-17-12(10-13(15)16-5)11-18-19(6,7)14(2,3)4/h8,12H,1,9-11H2,2-7H3/t12-/m1/s1.
What are the key properties of methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate?
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate has a molecular weight of 288.46 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enoxybutanoate is sourced from PubChem (CID 71665101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).