(6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-3,3,7-trimethyl-5,6-dihydro-2H-oxonine-4,9-dione

C17H30O4Si — CID 10592264

IUPAC(6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-3,3,7-trimethyl-5,6-dihydro-2H-oxonine-4,9-dione
SMILESC/C1=C/C(=O)OCC(C)(C)C(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O4Si/c1-12-9-15(19)20-11-17(5,6)14(18)10-13(12)21-22(7,8)16(2,3)4/h9,13H,10-11H2,1-8H3/b12-9-/t13-/m0/s1
InChIKeyGRFAQSQGUJRWFE-SUIFULHWSA-N
MW326.51 g/mol
LogP3.87
Rot. Bonds2

About (6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-3,3,7-trimethyl-5,6-dihydro-2H-oxonine-4,9-dione

(6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-3,3,7-trimethyl-5,6-dihydro-2H-oxonine-4,9-dione (PubChem CID 10592264) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is (6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-3,3,7-trimethyl-5,6-dihydro-2H-oxonine-4,9-dione.

Molecular Properties

Compound Name(6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-3,3,7-trimethyl-5,6-dihydro-2H-oxonine-4,9-dione
PubChem CID10592264
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Name(6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-3,3,7-trimethyl-5,6-dihydro-2H-oxonine-4,9-dione
SMILESC/C1=C/C(=O)OCC(C)(C)C(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O4Si/c1-12-9-15(19)20-11-17(5,6)14(18)10-13(12)21-22(7,8)16(2,3)4/h9,13H,10-11H2,1-8H3/b12-9-/t13-/m0/s1
InChIKeyGRFAQSQGUJRWFE-SUIFULHWSA-N
XLogP3.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate
CID 10527290
ethyl (Z,4S)-8-hydroxy-4-methoxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate
CID 10545419
methyl (E,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7,7-trimethyl-6-oxooct-2-enoate
CID 10576413
ethyl (E,4S)-8-hydroxy-4-methoxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate
CID 10617454
ethyl (Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate
CID 10650487
ethyl (Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7,7-trimethyl-6-oxooct-2-enoate
CID 10719742
ethyl (E,4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate
CID 13819555

Frequently Asked Questions

What is the IUPAC name of (6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-3,3,7-trimethyl-5,6-dihydro-2H-oxonine-4,9-dione?
The IUPAC name of (6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-3,3,7-trimethyl-5,6-dihydro-2H-oxonine-4,9-dione (CID 10592264) is (6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-3,3,7-trimethyl-5,6-dihydro-2H-oxonine-4,9-dione.
What is the SMILES notation for (6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-3,3,7-trimethyl-5,6-dihydro-2H-oxonine-4,9-dione?
The canonical SMILES for (6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-3,3,7-trimethyl-5,6-dihydro-2H-oxonine-4,9-dione is C/C1=C/C(=O)OCC(C)(C)C(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-3,3,7-trimethyl-5,6-dihydro-2H-oxonine-4,9-dione?
The InChIKey is GRFAQSQGUJRWFE-SUIFULHWSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-12-9-15(19)20-11-17(5,6)14(18)10-13(12)21-22(7,8)16(2,3)4/h9,13H,10-11H2,1-8H3/b12-9-/t13-/m0/s1.
What are the key properties of (6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-3,3,7-trimethyl-5,6-dihydro-2H-oxonine-4,9-dione?
(6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-3,3,7-trimethyl-5,6-dihydro-2H-oxonine-4,9-dione has a molecular weight of 326.51 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-3,3,7-trimethyl-5,6-dihydro-2H-oxonine-4,9-dione is sourced from PubChem (CID 10592264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).