(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-one

C19H36O4Si — CID 53392362

IUPAC(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-one
SMILESC=CC[C@@H]1CCC(=O)[C@](OC)(C(C)(C)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H36O4Si/c1-10-11-15-12-13-16(20)19(21-7,23-15)18(5,6)14-22-24(8,9)17(2,3)4/h10,15H,1,11-14H2,2-9H3/t15-,19-/m1/s1
InChIKeyZXHHZWASHZVQCP-DNVCBOLYSA-N
MW356.58 g/mol
LogP4.70
Rot. Bonds7

About (2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-one

(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-one (PubChem CID 53392362) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is (2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-one.

Molecular Properties

Compound Name(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-one
PubChem CID53392362
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Name(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-one
SMILESC=CC[C@@H]1CCC(=O)[C@](OC)(C(C)(C)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H36O4Si/c1-10-11-15-12-13-16(20)19(21-7,23-15)18(5,6)14-22-24(8,9)17(2,3)4/h10,15H,1,11-14H2,2-9H3/t15-,19-/m1/s1
InChIKeyZXHHZWASHZVQCP-DNVCBOLYSA-N
XLogP4.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.70
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 (2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-one?
The IUPAC name of (2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-one (CID 53392362) is (2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-one.
What is the SMILES notation for (2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-one?
The canonical SMILES for (2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-one is C=CC[C@@H]1CCC(=O)[C@](OC)(C(C)(C)CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-one?
The InChIKey is ZXHHZWASHZVQCP-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-10-11-15-12-13-16(20)19(21-7,23-15)18(5,6)14-22-24(8,9)17(2,3)4/h10,15H,1,11-14H2,2-9H3/t15-,19-/m1/s1.
What are the key properties of (2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-one?
(2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-one has a molecular weight of 356.58 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methoxy-6-prop-2-enyloxan-3-one is sourced from PubChem (CID 53392362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).