cis-(3R,5S)-3-butan-2-yl-5-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one

C16H32O2Si — CID 15356451

IUPACcis-(3R,5S)-3-butan-2-yl-5-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
SMILESCCC(C)[C@H]1CC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H32O2Si/c1-8-12(2)13-9-14(17)11-15(10-13)18-19(6,7)16(3,4)5/h12-13,15H,8-11H2,1-7H3/t12?,13-,15-/m0/s1
InChIKeyMOBHDJDMUUJYMX-MHEXWIEDSA-N
MW284.52 g/mol
LogP4.79
Rot. Bonds4

About cis-(3R,5S)-3-butan-2-yl-5-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one

cis-(3R,5S)-3-butan-2-yl-5-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one (PubChem CID 15356451) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is cis-(3R,5S)-3-butan-2-yl-5-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one.

Molecular Properties

Compound Namecis-(3R,5S)-3-butan-2-yl-5-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
PubChem CID15356451
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Namecis-(3R,5S)-3-butan-2-yl-5-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
SMILESCCC(C)[C@H]1CC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H32O2Si/c1-8-12(2)13-9-14(17)11-15(10-13)18-19(6,7)16(3,4)5/h12-13,15H,8-11H2,1-7H3/t12?,13-,15-/m0/s1
InChIKeyMOBHDJDMUUJYMX-MHEXWIEDSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.79
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 cis-(3R,5S)-3-butan-2-yl-5-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one?
The IUPAC name of cis-(3R,5S)-3-butan-2-yl-5-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one (CID 15356451) is cis-(3R,5S)-3-butan-2-yl-5-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one.
What is the SMILES notation for cis-(3R,5S)-3-butan-2-yl-5-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one?
The canonical SMILES for cis-(3R,5S)-3-butan-2-yl-5-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one is CCC(C)[C@H]1CC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of cis-(3R,5S)-3-butan-2-yl-5-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one?
The InChIKey is MOBHDJDMUUJYMX-MHEXWIEDSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-8-12(2)13-9-14(17)11-15(10-13)18-19(6,7)16(3,4)5/h12-13,15H,8-11H2,1-7H3/t12?,13-,15-/m0/s1.
What are the key properties of cis-(3R,5S)-3-butan-2-yl-5-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one?
cis-(3R,5S)-3-butan-2-yl-5-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one has a molecular weight of 284.52 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,5S)-3-butan-2-yl-5-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one is sourced from PubChem (CID 15356451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).