(4R)-4-hydroxy-5,5-dimethyl-1-[(6Z,8R)-7-methyl-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocin-8-yl]hexan-2-one

C20H38O4Si — CID 101361791

IUPAC(4R)-4-hydroxy-5,5-dimethyl-1-[(6Z,8R)-7-methyl-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocin-8-yl]hexan-2-one
SMILESC/C1=C/CCO[Si](C(C)C)(C(C)C)O[C@@H]1CC(=O)C[C@@H](O)C(C)(C)C
InChIInChI=1S/C20H38O4Si/c1-14(2)25(15(3)4)23-11-9-10-16(5)18(24-25)12-17(21)13-19(22)20(6,7)8/h10,14-15,18-19,22H,9,11-13H2,1-8H3/b16-10-/t18-,19-/m1/s1
InChIKeyVBPVCWNCNIRWIN-QMBNUAFSSA-N
MW370.61 g/mol
LogP4.76
Rot. Bonds6

About (4R)-4-hydroxy-5,5-dimethyl-1-[(6Z,8R)-7-methyl-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocin-8-yl]hexan-2-one

(4R)-4-hydroxy-5,5-dimethyl-1-[(6Z,8R)-7-methyl-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocin-8-yl]hexan-2-one (PubChem CID 101361791) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is (4R)-4-hydroxy-5,5-dimethyl-1-[(6Z,8R)-7-methyl-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocin-8-yl]hexan-2-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-5,5-dimethyl-1-[(6Z,8R)-7-methyl-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocin-8-yl]hexan-2-one
PubChem CID101361791
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Name(4R)-4-hydroxy-5,5-dimethyl-1-[(6Z,8R)-7-methyl-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocin-8-yl]hexan-2-one
SMILESC/C1=C/CCO[Si](C(C)C)(C(C)C)O[C@@H]1CC(=O)C[C@@H](O)C(C)(C)C
InChIInChI=1S/C20H38O4Si/c1-14(2)25(15(3)4)23-11-9-10-16(5)18(24-25)12-17(21)13-19(22)20(6,7)8/h10,14-15,18-19,22H,9,11-13H2,1-8H3/b16-10-/t18-,19-/m1/s1
InChIKeyVBPVCWNCNIRWIN-QMBNUAFSSA-N
XLogP4.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.76
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 (4R)-4-hydroxy-5,5-dimethyl-1-[(6Z,8R)-7-methyl-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocin-8-yl]hexan-2-one?
The IUPAC name of (4R)-4-hydroxy-5,5-dimethyl-1-[(6Z,8R)-7-methyl-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocin-8-yl]hexan-2-one (CID 101361791) is (4R)-4-hydroxy-5,5-dimethyl-1-[(6Z,8R)-7-methyl-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocin-8-yl]hexan-2-one.
What is the SMILES notation for (4R)-4-hydroxy-5,5-dimethyl-1-[(6Z,8R)-7-methyl-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocin-8-yl]hexan-2-one?
The canonical SMILES for (4R)-4-hydroxy-5,5-dimethyl-1-[(6Z,8R)-7-methyl-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocin-8-yl]hexan-2-one is C/C1=C/CCO[Si](C(C)C)(C(C)C)O[C@@H]1CC(=O)C[C@@H](O)C(C)(C)C.
What is the InChIKey of (4R)-4-hydroxy-5,5-dimethyl-1-[(6Z,8R)-7-methyl-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocin-8-yl]hexan-2-one?
The InChIKey is VBPVCWNCNIRWIN-QMBNUAFSSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-14(2)25(15(3)4)23-11-9-10-16(5)18(24-25)12-17(21)13-19(22)20(6,7)8/h10,14-15,18-19,22H,9,11-13H2,1-8H3/b16-10-/t18-,19-/m1/s1.
What are the key properties of (4R)-4-hydroxy-5,5-dimethyl-1-[(6Z,8R)-7-methyl-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocin-8-yl]hexan-2-one?
(4R)-4-hydroxy-5,5-dimethyl-1-[(6Z,8R)-7-methyl-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocin-8-yl]hexan-2-one has a molecular weight of 370.61 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-5,5-dimethyl-1-[(6Z,8R)-7-methyl-2,2-di(propan-2-yl)-5,8-dihydro-4H-1,3,2-dioxasilocin-8-yl]hexan-2-one is sourced from PubChem (CID 101361791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).