5-tri(propan-2-yl)silyloxycyclohex-2-en-1-one

C15H28O2Si — CID 139985463

IUPAC5-tri(propan-2-yl)silyloxycyclohex-2-en-1-one
SMILESCC(C)[Si](OC1CC=CC(=O)C1)(C(C)C)C(C)C
InChIInChI=1S/C15H28O2Si/c1-11(2)18(12(3)4,13(5)6)17-15-9-7-8-14(16)10-15/h7-8,11-13,15H,9-10H2,1-6H3
InChIKeyZZXXOMPZBFIHQT-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.47
Rot. Bonds5

About 5-tri(propan-2-yl)silyloxycyclohex-2-en-1-one

5-tri(propan-2-yl)silyloxycyclohex-2-en-1-one (PubChem CID 139985463) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 5-tri(propan-2-yl)silyloxycyclohex-2-en-1-one.

Molecular Properties

Compound Name5-tri(propan-2-yl)silyloxycyclohex-2-en-1-one
PubChem CID139985463
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name5-tri(propan-2-yl)silyloxycyclohex-2-en-1-one
SMILESCC(C)[Si](OC1CC=CC(=O)C1)(C(C)C)C(C)C
InChIInChI=1S/C15H28O2Si/c1-11(2)18(12(3)4,13(5)6)17-15-9-7-8-14(16)10-15/h7-8,11-13,15H,9-10H2,1-6H3
InChIKeyZZXXOMPZBFIHQT-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
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 5-tri(propan-2-yl)silyloxycyclohex-2-en-1-one?
The IUPAC name of 5-tri(propan-2-yl)silyloxycyclohex-2-en-1-one (CID 139985463) is 5-tri(propan-2-yl)silyloxycyclohex-2-en-1-one.
What is the SMILES notation for 5-tri(propan-2-yl)silyloxycyclohex-2-en-1-one?
The canonical SMILES for 5-tri(propan-2-yl)silyloxycyclohex-2-en-1-one is CC(C)[Si](OC1CC=CC(=O)C1)(C(C)C)C(C)C.
What is the InChIKey of 5-tri(propan-2-yl)silyloxycyclohex-2-en-1-one?
The InChIKey is ZZXXOMPZBFIHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-11(2)18(12(3)4,13(5)6)17-15-9-7-8-14(16)10-15/h7-8,11-13,15H,9-10H2,1-6H3.
What are the key properties of 5-tri(propan-2-yl)silyloxycyclohex-2-en-1-one?
5-tri(propan-2-yl)silyloxycyclohex-2-en-1-one has a molecular weight of 268.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tri(propan-2-yl)silyloxycyclohex-2-en-1-one is sourced from PubChem (CID 139985463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).