3-tri(propan-2-yl)silyloxycyclohept-2-en-1-one

C16H30O2Si — CID 86046794

IUPAC3-tri(propan-2-yl)silyloxycyclohept-2-en-1-one
SMILESCC(C)[Si](OC1=CC(=O)CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C16H30O2Si/c1-12(2)19(13(3)4,14(5)6)18-16-10-8-7-9-15(17)11-16/h11-14H,7-10H2,1-6H3
InChIKeyJGEFXJSLMFQJBW-UHFFFAOYSA-N
MW282.50 g/mol
LogP5.21
Rot. Bonds5

About 3-tri(propan-2-yl)silyloxycyclohept-2-en-1-one

3-tri(propan-2-yl)silyloxycyclohept-2-en-1-one (PubChem CID 86046794) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 3-tri(propan-2-yl)silyloxycyclohept-2-en-1-one.

Molecular Properties

Compound Name3-tri(propan-2-yl)silyloxycyclohept-2-en-1-one
PubChem CID86046794
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name3-tri(propan-2-yl)silyloxycyclohept-2-en-1-one
SMILESCC(C)[Si](OC1=CC(=O)CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C16H30O2Si/c1-12(2)19(13(3)4,14(5)6)18-16-10-8-7-9-15(17)11-16/h11-14H,7-10H2,1-6H3
InChIKeyJGEFXJSLMFQJBW-UHFFFAOYSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.50
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Tri(propan-2-yl)silyloxycyclohex-2-en-1-one
CID 11615972
3-[(Trimethylsilyl)oxy]cyclohex-2-en-1-one
CID 12540647
4-[Tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylidenecyclohept-3-en-1-one
CID 11558220
Hentriacontane-10,14,16-trione, mono-TMS
CID 5363462
Hentriacontane-14,16-dione, enol monotrimethylsilyl ether
CID 5366350
Hentriacontane-7,16,18-trione O-trimethylsilyl ether
CID 5366388
6-Tri(propan-2-yl)silyloxycycloundec-6-en-1-one
CID 123248744
CID 102382208
CID 102382208

Frequently Asked Questions

What is the IUPAC name of 3-tri(propan-2-yl)silyloxycyclohept-2-en-1-one?
The IUPAC name of 3-tri(propan-2-yl)silyloxycyclohept-2-en-1-one (CID 86046794) is 3-tri(propan-2-yl)silyloxycyclohept-2-en-1-one.
What is the SMILES notation for 3-tri(propan-2-yl)silyloxycyclohept-2-en-1-one?
The canonical SMILES for 3-tri(propan-2-yl)silyloxycyclohept-2-en-1-one is CC(C)[Si](OC1=CC(=O)CCCC1)(C(C)C)C(C)C.
What is the InChIKey of 3-tri(propan-2-yl)silyloxycyclohept-2-en-1-one?
The InChIKey is JGEFXJSLMFQJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-12(2)19(13(3)4,14(5)6)18-16-10-8-7-9-15(17)11-16/h11-14H,7-10H2,1-6H3.
What are the key properties of 3-tri(propan-2-yl)silyloxycyclohept-2-en-1-one?
3-tri(propan-2-yl)silyloxycyclohept-2-en-1-one has a molecular weight of 282.50 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tri(propan-2-yl)silyloxycyclohept-2-en-1-one is sourced from PubChem (CID 86046794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).