(4R,9E,11S)-7-methoxy-7,11-dimethyl-4-triethylsilyloxy-1-oxacyclododec-9-en-2-one

C20H38O4Si — CID 71095201

IUPAC(4R,9E,11S)-7-methoxy-7,11-dimethyl-4-triethylsilyloxy-1-oxacyclododec-9-en-2-one
SMILESCC[Si](CC)(CC)O[C@@H]1CCC(C)(OC)C/C=C/[C@H](C)COC(=O)C1
InChIInChI=1S/C20H38O4Si/c1-7-25(8-2,9-3)24-18-12-14-20(5,22-6)13-10-11-17(4)16-23-19(21)15-18/h10-11,17-18H,7-9,12-16H2,1-6H3/b11-10+/t17-,18+,20?/m0/s1
InChIKeyGBVZUZRIWSITLS-DNCQADQUSA-N
MW370.61 g/mol
LogP5.09
Rot. Bonds6

About (4R,9E,11S)-7-methoxy-7,11-dimethyl-4-triethylsilyloxy-1-oxacyclododec-9-en-2-one

(4R,9E,11S)-7-methoxy-7,11-dimethyl-4-triethylsilyloxy-1-oxacyclododec-9-en-2-one (PubChem CID 71095201) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is (4R,9E,11S)-7-methoxy-7,11-dimethyl-4-triethylsilyloxy-1-oxacyclododec-9-en-2-one.

Molecular Properties

Compound Name(4R,9E,11S)-7-methoxy-7,11-dimethyl-4-triethylsilyloxy-1-oxacyclododec-9-en-2-one
PubChem CID71095201
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Name(4R,9E,11S)-7-methoxy-7,11-dimethyl-4-triethylsilyloxy-1-oxacyclododec-9-en-2-one
SMILESCC[Si](CC)(CC)O[C@@H]1CCC(C)(OC)C/C=C/[C@H](C)COC(=O)C1
InChIInChI=1S/C20H38O4Si/c1-7-25(8-2,9-3)24-18-12-14-20(5,22-6)13-10-11-17(4)16-23-19(21)15-18/h10-11,17-18H,7-9,12-16H2,1-6H3/b11-10+/t17-,18+,20?/m0/s1
InChIKeyGBVZUZRIWSITLS-DNCQADQUSA-N
XLogP5.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.61
LogP ≤ 55.09
H-Bond Donors ≤ 50
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,9E,11S)-7-methoxy-7,11-dimethyl-4-triethylsilyloxy-1-oxacyclododec-9-en-2-one?
The IUPAC name of (4R,9E,11S)-7-methoxy-7,11-dimethyl-4-triethylsilyloxy-1-oxacyclododec-9-en-2-one (CID 71095201) is (4R,9E,11S)-7-methoxy-7,11-dimethyl-4-triethylsilyloxy-1-oxacyclododec-9-en-2-one.
What is the SMILES notation for (4R,9E,11S)-7-methoxy-7,11-dimethyl-4-triethylsilyloxy-1-oxacyclododec-9-en-2-one?
The canonical SMILES for (4R,9E,11S)-7-methoxy-7,11-dimethyl-4-triethylsilyloxy-1-oxacyclododec-9-en-2-one is CC[Si](CC)(CC)O[C@@H]1CCC(C)(OC)C/C=C/[C@H](C)COC(=O)C1.
What is the InChIKey of (4R,9E,11S)-7-methoxy-7,11-dimethyl-4-triethylsilyloxy-1-oxacyclododec-9-en-2-one?
The InChIKey is GBVZUZRIWSITLS-DNCQADQUSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-7-25(8-2,9-3)24-18-12-14-20(5,22-6)13-10-11-17(4)16-23-19(21)15-18/h10-11,17-18H,7-9,12-16H2,1-6H3/b11-10+/t17-,18+,20?/m0/s1.
What are the key properties of (4R,9E,11S)-7-methoxy-7,11-dimethyl-4-triethylsilyloxy-1-oxacyclododec-9-en-2-one?
(4R,9E,11S)-7-methoxy-7,11-dimethyl-4-triethylsilyloxy-1-oxacyclododec-9-en-2-one has a molecular weight of 370.61 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,9E,11S)-7-methoxy-7,11-dimethyl-4-triethylsilyloxy-1-oxacyclododec-9-en-2-one is sourced from PubChem (CID 71095201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).