cis-(3S,5R)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]cyclohexan-1-one

C12H24O3Si — CID 71082391

IUPACcis-(3S,5R)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]cyclohexan-1-one
SMILESCC(C)(C[C@H]1CC(=O)C[C@@H](O)C1)[Si](C)(C)O
InChIInChI=1S/C12H24O3Si/c1-12(2,16(3,4)15)8-9-5-10(13)7-11(14)6-9/h9-10,13,15H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyWQJRWRMTYQONGM-ZJUUUORDSA-N
MW244.41 g/mol
LogP2.08
Rot. Bonds3

About cis-(3S,5R)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]cyclohexan-1-one

cis-(3S,5R)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]cyclohexan-1-one (PubChem CID 71082391) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is cis-(3S,5R)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]cyclohexan-1-one.

Molecular Properties

Compound Namecis-(3S,5R)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]cyclohexan-1-one
PubChem CID71082391
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Namecis-(3S,5R)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]cyclohexan-1-one
SMILESCC(C)(C[C@H]1CC(=O)C[C@@H](O)C1)[Si](C)(C)O
InChIInChI=1S/C12H24O3Si/c1-12(2,16(3,4)15)8-9-5-10(13)7-11(14)6-9/h9-10,13,15H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyWQJRWRMTYQONGM-ZJUUUORDSA-N
XLogP2.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3S,5R)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]cyclohexan-1-one?
The IUPAC name of cis-(3S,5R)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]cyclohexan-1-one (CID 71082391) is cis-(3S,5R)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]cyclohexan-1-one.
What is the SMILES notation for cis-(3S,5R)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]cyclohexan-1-one?
The canonical SMILES for cis-(3S,5R)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]cyclohexan-1-one is CC(C)(C[C@H]1CC(=O)C[C@@H](O)C1)[Si](C)(C)O.
What is the InChIKey of cis-(3S,5R)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]cyclohexan-1-one?
The InChIKey is WQJRWRMTYQONGM-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-12(2,16(3,4)15)8-9-5-10(13)7-11(14)6-9/h9-10,13,15H,5-8H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of cis-(3S,5R)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]cyclohexan-1-one?
cis-(3S,5R)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]cyclohexan-1-one has a molecular weight of 244.41 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3S,5R)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]cyclohexan-1-one is sourced from PubChem (CID 71082391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).