2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclohexan-1-one

C25H34O2Si — CID 10023578

IUPAC2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](OCCCC1CCCCC1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34O2Si/c1-25(2,3)28(22-15-6-4-7-16-22,23-17-8-5-9-18-23)27-20-12-14-21-13-10-11-19-24(21)26/h4-9,15-18,21H,10-14,19-20H2,1-3H3
InChIKeyIGYIVRUCFFKPQW-UHFFFAOYSA-N
MW394.63 g/mol
LogP5.10
Rot. Bonds7

About 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclohexan-1-one

2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclohexan-1-one (PubChem CID 10023578) has the molecular formula C25H34O2Si and a molecular weight of 394.63 g/mol. Its IUPAC name is 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclohexan-1-one
PubChem CID10023578
Molecular FormulaC25H34O2Si
Molecular Weight394.63 g/mol
Exact Mass394.23
IUPAC Name2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](OCCCC1CCCCC1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34O2Si/c1-25(2,3)28(22-15-6-4-7-16-22,23-17-8-5-9-18-23)27-20-12-14-21-13-10-11-19-24(21)26/h4-9,15-18,21H,10-14,19-20H2,1-3H3
InChIKeyIGYIVRUCFFKPQW-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.63
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclohexan-1-one?
The IUPAC name of 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclohexan-1-one (CID 10023578) is 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclohexan-1-one.
What is the SMILES notation for 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclohexan-1-one?
The canonical SMILES for 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclohexan-1-one is CC(C)(C)[Si](OCCCC1CCCCC1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclohexan-1-one?
The InChIKey is IGYIVRUCFFKPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2Si/c1-25(2,3)28(22-15-6-4-7-16-22,23-17-8-5-9-18-23)27-20-12-14-21-13-10-11-19-24(21)26/h4-9,15-18,21H,10-14,19-20H2,1-3H3.
What are the key properties of 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclohexan-1-one?
2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclohexan-1-one has a molecular weight of 394.63 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cyclohexan-1-one is sourced from PubChem (CID 10023578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).