(2R)-2-(hydroxymethyl)-5-trimethylsilylcyclohexan-1-one

C10H20O2Si — CID 101114957

IUPAC(2R)-2-(hydroxymethyl)-5-trimethylsilylcyclohexan-1-one
SMILESC[Si](C)(C)C1CC[C@H](CO)C(=O)C1
InChIInChI=1S/C10H20O2Si/c1-13(2,3)9-5-4-8(7-11)10(12)6-9/h8-9,11H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyMMTKOHZCMQRAPT-VEDVMXKPSA-N
MW200.35 g/mol
LogP2.06
Rot. Bonds2

About (2R)-2-(hydroxymethyl)-5-trimethylsilylcyclohexan-1-one

(2R)-2-(hydroxymethyl)-5-trimethylsilylcyclohexan-1-one (PubChem CID 101114957) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-5-trimethylsilylcyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-5-trimethylsilylcyclohexan-1-one
PubChem CID101114957
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(2R)-2-(hydroxymethyl)-5-trimethylsilylcyclohexan-1-one
SMILESC[Si](C)(C)C1CC[C@H](CO)C(=O)C1
InChIInChI=1S/C10H20O2Si/c1-13(2,3)9-5-4-8(7-11)10(12)6-9/h8-9,11H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyMMTKOHZCMQRAPT-VEDVMXKPSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
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 (2R)-2-(hydroxymethyl)-5-trimethylsilylcyclohexan-1-one?
The IUPAC name of (2R)-2-(hydroxymethyl)-5-trimethylsilylcyclohexan-1-one (CID 101114957) is (2R)-2-(hydroxymethyl)-5-trimethylsilylcyclohexan-1-one.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-5-trimethylsilylcyclohexan-1-one?
The canonical SMILES for (2R)-2-(hydroxymethyl)-5-trimethylsilylcyclohexan-1-one is C[Si](C)(C)C1CC[C@H](CO)C(=O)C1.
What is the InChIKey of (2R)-2-(hydroxymethyl)-5-trimethylsilylcyclohexan-1-one?
The InChIKey is MMTKOHZCMQRAPT-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-13(2,3)9-5-4-8(7-11)10(12)6-9/h8-9,11H,4-7H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-5-trimethylsilylcyclohexan-1-one?
(2R)-2-(hydroxymethyl)-5-trimethylsilylcyclohexan-1-one has a molecular weight of 200.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-5-trimethylsilylcyclohexan-1-one is sourced from PubChem (CID 101114957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).