methyl (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-5-methyl-2,3-dihydropyran-6-ylidene]acetate

C18H32O4Si — CID 10042905

IUPACmethyl (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-5-methyl-2,3-dihydropyran-6-ylidene]acetate
SMILESCC[C@H]1O/C(=C\C(=O)OC)C(C)=C[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O4Si/c1-9-15-14(12-21-23(7,8)18(3,4)5)10-13(2)16(22-15)11-17(19)20-6/h10-11,14-15H,9,12H2,1-8H3/b16-11-/t14-,15-/m1/s1
InChIKeyHMVNRONBYCCHLK-MSNOVFOGSA-N
MW340.54 g/mol
LogP4.44
Rot. Bonds5

About methyl (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-5-methyl-2,3-dihydropyran-6-ylidene]acetate

methyl (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-5-methyl-2,3-dihydropyran-6-ylidene]acetate (PubChem CID 10042905) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is methyl (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-5-methyl-2,3-dihydropyran-6-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-5-methyl-2,3-dihydropyran-6-ylidene]acetate
PubChem CID10042905
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Namemethyl (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-5-methyl-2,3-dihydropyran-6-ylidene]acetate
SMILESCC[C@H]1O/C(=C\C(=O)OC)C(C)=C[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O4Si/c1-9-15-14(12-21-23(7,8)18(3,4)5)10-13(2)16(22-15)11-17(19)20-6/h10-11,14-15H,9,12H2,1-8H3/b16-11-/t14-,15-/m1/s1
InChIKeyHMVNRONBYCCHLK-MSNOVFOGSA-N
XLogP4.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-5-methyl-2,3-dihydropyran-6-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-5-methyl-2,3-dihydropyran-6-ylidene]acetate (CID 10042905) is methyl (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-5-methyl-2,3-dihydropyran-6-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-5-methyl-2,3-dihydropyran-6-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-5-methyl-2,3-dihydropyran-6-ylidene]acetate is CC[C@H]1O/C(=C\C(=O)OC)C(C)=C[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-5-methyl-2,3-dihydropyran-6-ylidene]acetate?
The InChIKey is HMVNRONBYCCHLK-MSNOVFOGSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-9-15-14(12-21-23(7,8)18(3,4)5)10-13(2)16(22-15)11-17(19)20-6/h10-11,14-15H,9,12H2,1-8H3/b16-11-/t14-,15-/m1/s1.
What are the key properties of methyl (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-5-methyl-2,3-dihydropyran-6-ylidene]acetate?
methyl (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-5-methyl-2,3-dihydropyran-6-ylidene]acetate has a molecular weight of 340.54 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethyl-5-methyl-2,3-dihydropyran-6-ylidene]acetate is sourced from PubChem (CID 10042905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).