prop-2-enyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate

C18H34O5Si — CID 11473830

IUPACprop-2-enyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate
SMILESC=CCOC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)[C@H](C)C(=O)CC
InChIInChI=1S/C18H34O5Si/c1-10-12-22-17(20)16(23-24(8,9)18(4,5)6)15(21-7)13(3)14(19)11-2/h10,13,15-16H,1,11-12H2,2-9H3/t13-,15+,16-/m1/s1
InChIKeyHSVLCZFICYRBLV-VNQPRFMTSA-N
MW358.55 g/mol
LogP3.74
Rot. Bonds10

About prop-2-enyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate

prop-2-enyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate (PubChem CID 11473830) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is prop-2-enyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate.

Molecular Properties

Compound Nameprop-2-enyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate
PubChem CID11473830
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Nameprop-2-enyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate
SMILESC=CCOC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)[C@H](C)C(=O)CC
InChIInChI=1S/C18H34O5Si/c1-10-12-22-17(20)16(23-24(8,9)18(4,5)6)15(21-7)13(3)14(19)11-2/h10,13,15-16H,1,11-12H2,2-9H3/t13-,15+,16-/m1/s1
InChIKeyHSVLCZFICYRBLV-VNQPRFMTSA-N
XLogP3.74
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze prop-2-enyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-3-methyl-1-oxo-1-prop-2-enoxybutan-2-yl] (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoate
CID 58901360
tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate
CID 11234201
prop-2-enyl 2-[(2R,5S,6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]acetate
CID 21672984
prop-2-enyl 2-[(2S,5S,6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]acetate
CID 21672985
methyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate
CID 101223327

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate?
The IUPAC name of prop-2-enyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate (CID 11473830) is prop-2-enyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate.
What is the SMILES notation for prop-2-enyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate?
The canonical SMILES for prop-2-enyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate is C=CCOC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)[C@H](C)C(=O)CC.
What is the InChIKey of prop-2-enyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate?
The InChIKey is HSVLCZFICYRBLV-VNQPRFMTSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-10-12-22-17(20)16(23-24(8,9)18(4,5)6)15(21-7)13(3)14(19)11-2/h10,13,15-16H,1,11-12H2,2-9H3/t13-,15+,16-/m1/s1.
What are the key properties of prop-2-enyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate?
prop-2-enyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate has a molecular weight of 358.55 g/mol, XLogP of 3.74, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxoheptanoate is sourced from PubChem (CID 11473830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).