4-(1-ethyl-1-phenylsilinan-4-yl)cyclohexan-1-one

C19H28OSi — CID 22412520

IUPAC4-(1-ethyl-1-phenylsilinan-4-yl)cyclohexan-1-one
SMILESCC[Si]1(c2ccccc2)CCC(C2CCC(=O)CC2)CC1
InChIInChI=1S/C19H28OSi/c1-2-21(19-6-4-3-5-7-19)14-12-17(13-15-21)16-8-10-18(20)11-9-16/h3-7,16-17H,2,8-15H2,1H3
InChIKeyUGBWWWLJSCBNBI-UHFFFAOYSA-N
MW300.52 g/mol
LogP4.53
Rot. Bonds3

About 4-(1-ethyl-1-phenylsilinan-4-yl)cyclohexan-1-one

4-(1-ethyl-1-phenylsilinan-4-yl)cyclohexan-1-one (PubChem CID 22412520) has the molecular formula C19H28OSi and a molecular weight of 300.52 g/mol. Its IUPAC name is 4-(1-ethyl-1-phenylsilinan-4-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(1-ethyl-1-phenylsilinan-4-yl)cyclohexan-1-one
PubChem CID22412520
Molecular FormulaC19H28OSi
Molecular Weight300.52 g/mol
Exact Mass300.19
IUPAC Name4-(1-ethyl-1-phenylsilinan-4-yl)cyclohexan-1-one
SMILESCC[Si]1(c2ccccc2)CCC(C2CCC(=O)CC2)CC1
InChIInChI=1S/C19H28OSi/c1-2-21(19-6-4-3-5-7-19)14-12-17(13-15-21)16-8-10-18(20)11-9-16/h3-7,16-17H,2,8-15H2,1H3
InChIKeyUGBWWWLJSCBNBI-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-(1-ethyl-1-phenylsilinan-4-yl)cyclohexan-1-one?
The IUPAC name of 4-(1-ethyl-1-phenylsilinan-4-yl)cyclohexan-1-one (CID 22412520) is 4-(1-ethyl-1-phenylsilinan-4-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(1-ethyl-1-phenylsilinan-4-yl)cyclohexan-1-one?
The canonical SMILES for 4-(1-ethyl-1-phenylsilinan-4-yl)cyclohexan-1-one is CC[Si]1(c2ccccc2)CCC(C2CCC(=O)CC2)CC1.
What is the InChIKey of 4-(1-ethyl-1-phenylsilinan-4-yl)cyclohexan-1-one?
The InChIKey is UGBWWWLJSCBNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28OSi/c1-2-21(19-6-4-3-5-7-19)14-12-17(13-15-21)16-8-10-18(20)11-9-16/h3-7,16-17H,2,8-15H2,1H3.
What are the key properties of 4-(1-ethyl-1-phenylsilinan-4-yl)cyclohexan-1-one?
4-(1-ethyl-1-phenylsilinan-4-yl)cyclohexan-1-one has a molecular weight of 300.52 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-1-phenylsilinan-4-yl)cyclohexan-1-one is sourced from PubChem (CID 22412520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).