(4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one

C23H44O2Si2 — CID 11395717

IUPAC(4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one
SMILESCC(C)(C)[Si](C)(C)O/C1=C/[C@H]([Si](C)(C)C)[C@H](C2CCCCC2)CC(=O)CC1
InChIInChI=1S/C23H44O2Si2/c1-23(2,3)27(7,8)25-20-15-14-19(24)16-21(18-12-10-9-11-13-18)22(17-20)26(4,5)6/h17-18,21-22H,9-16H2,1-8H3/b20-17+/t21-,22-/m0/s1
InChIKeyAUZLXWQPPJIXGC-XPYBYMAJSA-N
MW408.78 g/mol
LogP7.55
Rot. Bonds4

About (4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one

(4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one (PubChem CID 11395717) has the molecular formula C23H44O2Si2 and a molecular weight of 408.78 g/mol. Its IUPAC name is (4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one.

Molecular Properties

Compound Name(4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one
PubChem CID11395717
Molecular FormulaC23H44O2Si2
Molecular Weight408.78 g/mol
Exact Mass408.29
IUPAC Name(4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one
SMILESCC(C)(C)[Si](C)(C)O/C1=C/[C@H]([Si](C)(C)C)[C@H](C2CCCCC2)CC(=O)CC1
InChIInChI=1S/C23H44O2Si2/c1-23(2,3)27(7,8)25-20-15-14-19(24)16-21(18-12-10-9-11-13-18)22(17-20)26(4,5)6/h17-18,21-22H,9-16H2,1-8H3/b20-17+/t21-,22-/m0/s1
InChIKeyAUZLXWQPPJIXGC-XPYBYMAJSA-N
XLogP7.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.78
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one?
The IUPAC name of (4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one (CID 11395717) is (4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one.
What is the SMILES notation for (4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one?
The canonical SMILES for (4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one is CC(C)(C)[Si](C)(C)O/C1=C/[C@H]([Si](C)(C)C)[C@H](C2CCCCC2)CC(=O)CC1.
What is the InChIKey of (4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one?
The InChIKey is AUZLXWQPPJIXGC-XPYBYMAJSA-N. The full InChI is InChI=1S/C23H44O2Si2/c1-23(2,3)27(7,8)25-20-15-14-19(24)16-21(18-12-10-9-11-13-18)22(17-20)26(4,5)6/h17-18,21-22H,9-16H2,1-8H3/b20-17+/t21-,22-/m0/s1.
What are the key properties of (4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one?
(4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one has a molecular weight of 408.78 g/mol, XLogP of 7.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one is sourced from PubChem (CID 11395717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).