(1s,3s)-1-t-butyldimethylsilyloxy-3-methylcyclohexan-1-one

C13H25O2Si — CID 177256410

IUPAC—
SMILESC[C@H]1CCCC(=O)[C@H]1O[Si](C)CC(C)(C)C
InChIInChI=1S/C13H25O2Si/c1-10-7-6-8-11(14)12(10)15-16(5)9-13(2,3)4/h10,12H,6-9H2,1-5H3/t10-,12-/m0/s1
InChIKeyNRURFIJREZMWKQ-JQWIXIFHSA-N
MW241.43 g/mol
LogP3.43
Rot. Bonds3

About (1s,3s)-1-t-butyldimethylsilyloxy-3-methylcyclohexan-1-one

(1s,3s)-1-t-butyldimethylsilyloxy-3-methylcyclohexan-1-one (PubChem CID 177256410) has the molecular formula C13H25O2Si and a molecular weight of 241.43 g/mol.

Molecular Properties

Compound Name(1s,3s)-1-t-butyldimethylsilyloxy-3-methylcyclohexan-1-one
PubChem CID177256410
Molecular FormulaC13H25O2Si
Molecular Weight241.43 g/mol
Exact Mass241.16
IUPAC Name—
SMILESC[C@H]1CCCC(=O)[C@H]1O[Si](C)CC(C)(C)C
InChIInChI=1S/C13H25O2Si/c1-10-7-6-8-11(14)12(10)15-16(5)9-13(2,3)4/h10,12H,6-9H2,1-5H3/t10-,12-/m0/s1
InChIKeyNRURFIJREZMWKQ-JQWIXIFHSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.43
LogP ≤ 53.43
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 (1s,3s)-1-t-butyldimethylsilyloxy-3-methylcyclohexan-1-one?
The IUPAC name of (1s,3s)-1-t-butyldimethylsilyloxy-3-methylcyclohexan-1-one (CID 177256410) is not available.
What is the SMILES notation for (1s,3s)-1-t-butyldimethylsilyloxy-3-methylcyclohexan-1-one?
The canonical SMILES for (1s,3s)-1-t-butyldimethylsilyloxy-3-methylcyclohexan-1-one is C[C@H]1CCCC(=O)[C@H]1O[Si](C)CC(C)(C)C.
What is the InChIKey of (1s,3s)-1-t-butyldimethylsilyloxy-3-methylcyclohexan-1-one?
The InChIKey is NRURFIJREZMWKQ-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H25O2Si/c1-10-7-6-8-11(14)12(10)15-16(5)9-13(2,3)4/h10,12H,6-9H2,1-5H3/t10-,12-/m0/s1.
What are the key properties of (1s,3s)-1-t-butyldimethylsilyloxy-3-methylcyclohexan-1-one?
(1s,3s)-1-t-butyldimethylsilyloxy-3-methylcyclohexan-1-one has a molecular weight of 241.43 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1s,3s)-1-t-butyldimethylsilyloxy-3-methylcyclohexan-1-one is sourced from PubChem (CID 177256410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).