8-propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one

C17H30O2Si — CID 57305973

IUPAC8-propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one
SMILESCC(C)C1C=CC(CO[Si](C)(C)C)CC=CC(=O)CC1
InChIInChI=1S/C17H30O2Si/c1-14(2)16-10-9-15(13-19-20(3,4)5)7-6-8-17(18)12-11-16/h6,8-10,14-16H,7,11-13H2,1-5H3
InChIKeyDMAIUWSKZMPYQG-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.59
Rot. Bonds4

About 8-propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one

8-propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one (PubChem CID 57305973) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is 8-propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one.

Molecular Properties

Compound Name8-propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one
PubChem CID57305973
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name8-propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one
SMILESCC(C)C1C=CC(CO[Si](C)(C)C)CC=CC(=O)CC1
InChIInChI=1S/C17H30O2Si/c1-14(2)16-10-9-15(13-19-20(3,4)5)7-6-8-17(18)12-11-16/h6,8-10,14-16H,7,11-13H2,1-5H3
InChIKeyDMAIUWSKZMPYQG-UHFFFAOYSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3E,6S)-2,6-dimethyl-1-tri(propan-2-yl)silyloxydeca-3,9-dien-5-one
CID 12164694
(2Z,6E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 13073165
(Z)-9-[tert-butyl(dimethyl)silyl]oxy-5-propan-2-ylnon-6-en-2-one
CID 134833523
(4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]cyclohex-2-en-1-one
CID 135016080
(4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-one
CID 10590061
(2Z,6Z)-5-[(2-methylpropan-2-yl)oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 20164359
(2Z,6Z)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 20164362
(2Z,6Z)-8-propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one
CID 20164372
5-[(2-Methylpropan-2-yl)oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 57227825
5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 70433943
(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-propan-2-ylcyclohex-2-en-1-one
CID 91550986
5-[Bis[[tert-butyl(methyl)silyl]oxy]methyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 123341660

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one?
The IUPAC name of 8-propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one (CID 57305973) is 8-propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one.
What is the SMILES notation for 8-propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one?
The canonical SMILES for 8-propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one is CC(C)C1C=CC(CO[Si](C)(C)C)CC=CC(=O)CC1.
What is the InChIKey of 8-propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one?
The InChIKey is DMAIUWSKZMPYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-14(2)16-10-9-15(13-19-20(3,4)5)7-6-8-17(18)12-11-16/h6,8-10,14-16H,7,11-13H2,1-5H3.
What are the key properties of 8-propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one?
8-propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one has a molecular weight of 294.51 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-5-(trimethylsilyloxymethyl)cyclodeca-2,6-dien-1-one is sourced from PubChem (CID 57305973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).