2-(1-hydroxy-4-trimethylsilylbut-2-enyl)cyclohexan-1-one

C13H24O2Si — CID 71328596

IUPAC2-(1-hydroxy-4-trimethylsilylbut-2-enyl)cyclohexan-1-one
SMILESC[Si](C)(C)CC=CC(O)C1CCCCC1=O
InChIInChI=1S/C13H24O2Si/c1-16(2,3)10-6-9-13(15)11-7-4-5-8-12(11)14/h6,9,11,13,15H,4-5,7-8,10H2,1-3H3
InChIKeyBXFGXSHGOWRVPO-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.00
Rot. Bonds4

About 2-(1-hydroxy-4-trimethylsilylbut-2-enyl)cyclohexan-1-one

2-(1-hydroxy-4-trimethylsilylbut-2-enyl)cyclohexan-1-one (PubChem CID 71328596) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-(1-hydroxy-4-trimethylsilylbut-2-enyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1-hydroxy-4-trimethylsilylbut-2-enyl)cyclohexan-1-one
PubChem CID71328596
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name2-(1-hydroxy-4-trimethylsilylbut-2-enyl)cyclohexan-1-one
SMILESC[Si](C)(C)CC=CC(O)C1CCCCC1=O
InChIInChI=1S/C13H24O2Si/c1-16(2,3)10-6-9-13(15)11-7-4-5-8-12(11)14/h6,9,11,13,15H,4-5,7-8,10H2,1-3H3
InChIKeyBXFGXSHGOWRVPO-UHFFFAOYSA-N
XLogP3.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-4-trimethylsilylbut-2-enyl)cyclohexan-1-one?
The IUPAC name of 2-(1-hydroxy-4-trimethylsilylbut-2-enyl)cyclohexan-1-one (CID 71328596) is 2-(1-hydroxy-4-trimethylsilylbut-2-enyl)cyclohexan-1-one.
What is the SMILES notation for 2-(1-hydroxy-4-trimethylsilylbut-2-enyl)cyclohexan-1-one?
The canonical SMILES for 2-(1-hydroxy-4-trimethylsilylbut-2-enyl)cyclohexan-1-one is C[Si](C)(C)CC=CC(O)C1CCCCC1=O.
What is the InChIKey of 2-(1-hydroxy-4-trimethylsilylbut-2-enyl)cyclohexan-1-one?
The InChIKey is BXFGXSHGOWRVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-16(2,3)10-6-9-13(15)11-7-4-5-8-12(11)14/h6,9,11,13,15H,4-5,7-8,10H2,1-3H3.
What are the key properties of 2-(1-hydroxy-4-trimethylsilylbut-2-enyl)cyclohexan-1-one?
2-(1-hydroxy-4-trimethylsilylbut-2-enyl)cyclohexan-1-one has a molecular weight of 240.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-4-trimethylsilylbut-2-enyl)cyclohexan-1-one is sourced from PubChem (CID 71328596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).