1-[(1R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-4-methylcyclohexyl]ethanone

C15H30O4Si — CID 10733179

IUPAC1-[(1R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-4-methylcyclohexyl]ethanone
SMILESCC(=O)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@](C)(O)[C@@H](O)C1
InChIInChI=1S/C15H30O4Si/c1-10(16)11-8-12(17)15(5,18)13(9-11)19-20(6,7)14(2,3)4/h11-13,17-18H,8-9H2,1-7H3/t11-,12+,13+,15-/m1/s1
InChIKeyRILQLKFBGZCPTP-UKTARXLSSA-N
MW302.49 g/mol
LogP2.49
Rot. Bonds3

About 1-[(1R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-4-methylcyclohexyl]ethanone

1-[(1R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-4-methylcyclohexyl]ethanone (PubChem CID 10733179) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-[(1R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-4-methylcyclohexyl]ethanone.

Molecular Properties

Compound Name1-[(1R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-4-methylcyclohexyl]ethanone
PubChem CID10733179
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name1-[(1R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-4-methylcyclohexyl]ethanone
SMILESCC(=O)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@](C)(O)[C@@H](O)C1
InChIInChI=1S/C15H30O4Si/c1-10(16)11-8-12(17)15(5,18)13(9-11)19-20(6,7)14(2,3)4/h11-13,17-18H,8-9H2,1-7H3/t11-,12+,13+,15-/m1/s1
InChIKeyRILQLKFBGZCPTP-UKTARXLSSA-N
XLogP2.49
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-[(1R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-4-methylcyclohexyl]ethanone?
The IUPAC name of 1-[(1R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-4-methylcyclohexyl]ethanone (CID 10733179) is 1-[(1R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-4-methylcyclohexyl]ethanone.
What is the SMILES notation for 1-[(1R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-4-methylcyclohexyl]ethanone?
The canonical SMILES for 1-[(1R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-4-methylcyclohexyl]ethanone is CC(=O)[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@](C)(O)[C@@H](O)C1.
What is the InChIKey of 1-[(1R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-4-methylcyclohexyl]ethanone?
The InChIKey is RILQLKFBGZCPTP-UKTARXLSSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-10(16)11-8-12(17)15(5,18)13(9-11)19-20(6,7)14(2,3)4/h11-13,17-18H,8-9H2,1-7H3/t11-,12+,13+,15-/m1/s1.
What are the key properties of 1-[(1R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-4-methylcyclohexyl]ethanone?
1-[(1R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-4-methylcyclohexyl]ethanone has a molecular weight of 302.49 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-4-methylcyclohexyl]ethanone is sourced from PubChem (CID 10733179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).