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

C16H30O2Si — CID 139985467

IUPAC4-tri(propan-2-yl)silyloxycyclohept-2-en-1-one
SMILESCC(C)[Si](OC1C=CC(=O)CCC1)(C(C)C)C(C)C
InChIInChI=1S/C16H30O2Si/c1-12(2)19(13(3)4,14(5)6)18-16-9-7-8-15(17)10-11-16/h10-14,16H,7-9H2,1-6H3
InChIKeyOQFSRSQHOGKOAM-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.86
Rot. Bonds5

About 4-tri(propan-2-yl)silyloxycyclohept-2-en-1-one

4-tri(propan-2-yl)silyloxycyclohept-2-en-1-one (PubChem CID 139985467) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 4-tri(propan-2-yl)silyloxycyclohept-2-en-1-one.

Molecular Properties

Compound Name4-tri(propan-2-yl)silyloxycyclohept-2-en-1-one
PubChem CID139985467
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name4-tri(propan-2-yl)silyloxycyclohept-2-en-1-one
SMILESCC(C)[Si](OC1C=CC(=O)CCC1)(C(C)C)C(C)C
InChIInChI=1S/C16H30O2Si/c1-12(2)19(13(3)4,14(5)6)18-16-9-7-8-15(17)10-11-16/h10-14,16H,7-9H2,1-6H3
InChIKeyOQFSRSQHOGKOAM-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.86
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-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-2-en-1-one
CID 11184065
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclohept-2-en-1-one
CID 101658121
(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-3-prop-2-enylcyclohept-2-en-1-one
CID 134967159
4-[Tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one
CID 14379684
Cyclopent-2-en-1-one;trimethyl(oct-1-en-3-yloxy)silane
CID 70573746
4-Triethylsilyloxycyclohex-2-en-1-one
CID 101739535
4-Triethylsilyloxycyclohept-2-en-1-one
CID 139985477
4-Tri(propan-2-yl)silyloxycyclohex-2-en-1-one
CID 139985479
7-Tri(propan-2-yl)silyloxycyclohept-2-en-1-one
CID 139985494
7-Triethylsilyloxycyclohept-2-en-1-one
CID 139985497
(E)-5-[tert-butyl(dimethyl)silyl]oxydec-3-en-2-one
CID 159397916
(4R,5S,6S,7S)-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyl-6-triethylsilyloxycyclohept-2-en-1-one
CID 10408600

Frequently Asked Questions

What is the IUPAC name of 4-tri(propan-2-yl)silyloxycyclohept-2-en-1-one?
The IUPAC name of 4-tri(propan-2-yl)silyloxycyclohept-2-en-1-one (CID 139985467) is 4-tri(propan-2-yl)silyloxycyclohept-2-en-1-one.
What is the SMILES notation for 4-tri(propan-2-yl)silyloxycyclohept-2-en-1-one?
The canonical SMILES for 4-tri(propan-2-yl)silyloxycyclohept-2-en-1-one is CC(C)[Si](OC1C=CC(=O)CCC1)(C(C)C)C(C)C.
What is the InChIKey of 4-tri(propan-2-yl)silyloxycyclohept-2-en-1-one?
The InChIKey is OQFSRSQHOGKOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-12(2)19(13(3)4,14(5)6)18-16-9-7-8-15(17)10-11-16/h10-14,16H,7-9H2,1-6H3.
What are the key properties of 4-tri(propan-2-yl)silyloxycyclohept-2-en-1-one?
4-tri(propan-2-yl)silyloxycyclohept-2-en-1-one has a molecular weight of 282.50 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tri(propan-2-yl)silyloxycyclohept-2-en-1-one is sourced from PubChem (CID 139985467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).