butyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate

C17H32O4Si — CID 101088066

IUPACbutyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCCCOC(=O)[C@H]1CC([Si](C)(C)C(C)(C)C)=C[C@@H](OC)O1
InChIInChI=1S/C17H32O4Si/c1-8-9-10-20-16(18)14-11-13(12-15(19-5)21-14)22(6,7)17(2,3)4/h12,14-15H,8-11H2,1-7H3/t14-,15+/m1/s1
InChIKeyYPPDAHYOUPXSBY-CABCVRRESA-N
MW328.53 g/mol
LogP4.07
Rot. Bonds6

About butyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate

butyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 101088066) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is butyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Namebutyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID101088066
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Namebutyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCCCOC(=O)[C@H]1CC([Si](C)(C)C(C)(C)C)=C[C@@H](OC)O1
InChIInChI=1S/C17H32O4Si/c1-8-9-10-20-16(18)14-11-13(12-15(19-5)21-14)22(6,7)17(2,3)4/h12,14-15H,8-11H2,1-7H3/t14-,15+/m1/s1
InChIKeyYPPDAHYOUPXSBY-CABCVRRESA-N
XLogP4.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of butyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate (CID 101088066) is butyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for butyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for butyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate is CCCCOC(=O)[C@H]1CC([Si](C)(C)C(C)(C)C)=C[C@@H](OC)O1.
What is the InChIKey of butyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is YPPDAHYOUPXSBY-CABCVRRESA-N. The full InChI is InChI=1S/C17H32O4Si/c1-8-9-10-20-16(18)14-11-13(12-15(19-5)21-14)22(6,7)17(2,3)4/h12,14-15H,8-11H2,1-7H3/t14-,15+/m1/s1.
What are the key properties of butyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate?
butyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate has a molecular weight of 328.53 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 101088066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).