2-hydroxy-6-[(2R)-6-methyl-1-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2H-pyran-5-one

C22H40O4Si — CID 134843832

IUPAC2-hydroxy-6-[(2R)-6-methyl-1-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2H-pyran-5-one
SMILESC=C(C)CCC[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C1OC(O)C=CC1=O
InChIInChI=1S/C22H40O4Si/c1-15(2)10-9-11-19(22-20(23)12-13-21(24)26-22)14-25-27(16(3)4,17(5)6)18(7)8/h12-13,16-19,21-22,24H,1,9-11,14H2,2-8H3/t19-,21?,22?/m1/s1
InChIKeyFYMWNONPHBEJJS-JSRJAPPDSA-N
MW396.64 g/mol
LogP5.38
Rot. Bonds11

About 2-hydroxy-6-[(2R)-6-methyl-1-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2H-pyran-5-one

2-hydroxy-6-[(2R)-6-methyl-1-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2H-pyran-5-one (PubChem CID 134843832) has the molecular formula C22H40O4Si and a molecular weight of 396.64 g/mol. Its IUPAC name is 2-hydroxy-6-[(2R)-6-methyl-1-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2H-pyran-5-one.

Molecular Properties

Compound Name2-hydroxy-6-[(2R)-6-methyl-1-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2H-pyran-5-one
PubChem CID134843832
Molecular FormulaC22H40O4Si
Molecular Weight396.64 g/mol
Exact Mass396.27
IUPAC Name2-hydroxy-6-[(2R)-6-methyl-1-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2H-pyran-5-one
SMILESC=C(C)CCC[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C1OC(O)C=CC1=O
InChIInChI=1S/C22H40O4Si/c1-15(2)10-9-11-19(22-20(23)12-13-21(24)26-22)14-25-27(16(3)4,17(5)6)18(7)8/h12-13,16-19,21-22,24H,1,9-11,14H2,2-8H3/t19-,21?,22?/m1/s1
InChIKeyFYMWNONPHBEJJS-JSRJAPPDSA-N
XLogP5.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.64
LogP ≤ 55.38
H-Bond Donors ≤ 51
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 2-hydroxy-6-[(2R)-6-methyl-1-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2H-pyran-5-one?
The IUPAC name of 2-hydroxy-6-[(2R)-6-methyl-1-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2H-pyran-5-one (CID 134843832) is 2-hydroxy-6-[(2R)-6-methyl-1-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2H-pyran-5-one.
What is the SMILES notation for 2-hydroxy-6-[(2R)-6-methyl-1-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2H-pyran-5-one?
The canonical SMILES for 2-hydroxy-6-[(2R)-6-methyl-1-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2H-pyran-5-one is C=C(C)CCC[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)C1OC(O)C=CC1=O.
What is the InChIKey of 2-hydroxy-6-[(2R)-6-methyl-1-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2H-pyran-5-one?
The InChIKey is FYMWNONPHBEJJS-JSRJAPPDSA-N. The full InChI is InChI=1S/C22H40O4Si/c1-15(2)10-9-11-19(22-20(23)12-13-21(24)26-22)14-25-27(16(3)4,17(5)6)18(7)8/h12-13,16-19,21-22,24H,1,9-11,14H2,2-8H3/t19-,21?,22?/m1/s1.
What are the key properties of 2-hydroxy-6-[(2R)-6-methyl-1-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2H-pyran-5-one?
2-hydroxy-6-[(2R)-6-methyl-1-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2H-pyran-5-one has a molecular weight of 396.64 g/mol, XLogP of 5.38, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[(2R)-6-methyl-1-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2H-pyran-5-one is sourced from PubChem (CID 134843832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).