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

C16H30O2Si — CID 139985494

IUPAC7-tri(propan-2-yl)silyloxycyclohept-2-en-1-one
SMILESCC(C)[Si](OC1CCCC=CC1=O)(C(C)C)C(C)C
InChIInChI=1S/C16H30O2Si/c1-12(2)19(13(3)4,14(5)6)18-16-11-9-7-8-10-15(16)17/h8,10,12-14,16H,7,9,11H2,1-6H3
InChIKeySRZRLTXSOQDUHR-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.86
Rot. Bonds5

About 7-tri(propan-2-yl)silyloxycyclohept-2-en-1-one

7-tri(propan-2-yl)silyloxycyclohept-2-en-1-one (PubChem CID 139985494) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 7-tri(propan-2-yl)silyloxycyclohept-2-en-1-one.

Molecular Properties

Compound Name7-tri(propan-2-yl)silyloxycyclohept-2-en-1-one
PubChem CID139985494
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name7-tri(propan-2-yl)silyloxycyclohept-2-en-1-one
SMILESCC(C)[Si](OC1CCCC=CC1=O)(C(C)C)C(C)C
InChIInChI=1S/C16H30O2Si/c1-12(2)19(13(3)4,14(5)6)18-16-11-9-7-8-10-15(16)17/h8,10,12-14,16H,7,9,11H2,1-6H3
InChIKeySRZRLTXSOQDUHR-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

6-Trimethylsilyloxycyclohex-2-en-1-one
CID 25191932
7-[Tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one
CID 13496136
(2E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxonona-2,8-dienal
CID 53494078
(E)-1-[tert-butyl(dimethyl)silyl]oxytridec-5-en-7-one
CID 101738214
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal
CID 102100733
2-(7-Oxo-8-trimethylsilyloxyoct-2-enyl)cyclopent-2-en-1-one
CID 54250011
2-(8-Oxo-9-trimethylsilyloxynon-2-enyl)cyclopent-2-en-1-one
CID 54488360
6-Methyl-10-triethylsilyloxycyclodeca-2,6-dien-1-one
CID 57306257
2-[(Z)-8-oxo-9-trimethylsilyloxynon-2-enyl]cyclopent-2-en-1-one
CID 70581748
2-[(Z)-7-oxo-8-trimethylsilyloxyoct-2-enyl]cyclopent-2-en-1-one
CID 70591466
6-(Tert-butyldimethylsilyloxy)cyclohex-2-enone
CID 102133175
6-Triethylsilyloxycyclohex-2-en-1-one
CID 139985457

Frequently Asked Questions

What is the IUPAC name of 7-tri(propan-2-yl)silyloxycyclohept-2-en-1-one?
The IUPAC name of 7-tri(propan-2-yl)silyloxycyclohept-2-en-1-one (CID 139985494) is 7-tri(propan-2-yl)silyloxycyclohept-2-en-1-one.
What is the SMILES notation for 7-tri(propan-2-yl)silyloxycyclohept-2-en-1-one?
The canonical SMILES for 7-tri(propan-2-yl)silyloxycyclohept-2-en-1-one is CC(C)[Si](OC1CCCC=CC1=O)(C(C)C)C(C)C.
What is the InChIKey of 7-tri(propan-2-yl)silyloxycyclohept-2-en-1-one?
The InChIKey is SRZRLTXSOQDUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-12(2)19(13(3)4,14(5)6)18-16-11-9-7-8-10-15(16)17/h8,10,12-14,16H,7,9,11H2,1-6H3.
What are the key properties of 7-tri(propan-2-yl)silyloxycyclohept-2-en-1-one?
7-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 7-tri(propan-2-yl)silyloxycyclohept-2-en-1-one is sourced from PubChem (CID 139985494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).