3-(5-trimethylsilylpenta-3,4-dienoxy)cyclohex-2-en-1-one

C14H22O2Si — CID 15363406

IUPAC3-(5-trimethylsilylpenta-3,4-dienoxy)cyclohex-2-en-1-one
SMILESC[Si](C)(C)C=C=CCCOC1=CC(=O)CCC1
InChIInChI=1S/C14H22O2Si/c1-17(2,3)11-6-4-5-10-16-14-9-7-8-13(15)12-14/h4,11-12H,5,7-10H2,1-3H3
InChIKeyMMLWMOLHMWNGPQ-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.62
Rot. Bonds5

About 3-(5-trimethylsilylpenta-3,4-dienoxy)cyclohex-2-en-1-one

3-(5-trimethylsilylpenta-3,4-dienoxy)cyclohex-2-en-1-one (PubChem CID 15363406) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is 3-(5-trimethylsilylpenta-3,4-dienoxy)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(5-trimethylsilylpenta-3,4-dienoxy)cyclohex-2-en-1-one
PubChem CID15363406
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name3-(5-trimethylsilylpenta-3,4-dienoxy)cyclohex-2-en-1-one
SMILESC[Si](C)(C)C=C=CCCOC1=CC(=O)CCC1
InChIInChI=1S/C14H22O2Si/c1-17(2,3)11-6-4-5-10-16-14-9-7-8-13(15)12-14/h4,11-12H,5,7-10H2,1-3H3
InChIKeyMMLWMOLHMWNGPQ-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Ethoxycyclohex-2-ene-1-one
CID 79216
3-Isobutoxycyclohex-2-en-1-one
CID 89991
3-Butoxycyclohex-2-en-1-one
CID 85454
(6E)-3-ethoxy-6-(trimethylsilyloxymethylidene)cyclohex-2-en-1-one
CID 5384242
3-Isopropoxycyclohex-2-en-1-one
CID 94095
3-Tri(propan-2-yl)silyloxycyclohex-2-en-1-one
CID 11615972
3-[(Trimethylsilyl)oxy]cyclohex-2-en-1-one
CID 12540647
3-Butan-2-yloxycyclohex-2-en-1-one
CID 14493361
6-[5-[Tert-butyl(dimethyl)silyl]pent-4-ynylidene]-3-ethoxycyclohex-2-en-1-one
CID 135023629
3-Pent-4-en-2-yloxycyclohex-2-en-1-one
CID 154707097
3-But-3-enoxycyclohex-2-en-1-one
CID 13837987
3-Pent-4-enoxycyclohex-2-en-1-one
CID 15932985

Frequently Asked Questions

What is the IUPAC name of 3-(5-trimethylsilylpenta-3,4-dienoxy)cyclohex-2-en-1-one?
The IUPAC name of 3-(5-trimethylsilylpenta-3,4-dienoxy)cyclohex-2-en-1-one (CID 15363406) is 3-(5-trimethylsilylpenta-3,4-dienoxy)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(5-trimethylsilylpenta-3,4-dienoxy)cyclohex-2-en-1-one?
The canonical SMILES for 3-(5-trimethylsilylpenta-3,4-dienoxy)cyclohex-2-en-1-one is C[Si](C)(C)C=C=CCCOC1=CC(=O)CCC1.
What is the InChIKey of 3-(5-trimethylsilylpenta-3,4-dienoxy)cyclohex-2-en-1-one?
The InChIKey is MMLWMOLHMWNGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-17(2,3)11-6-4-5-10-16-14-9-7-8-13(15)12-14/h4,11-12H,5,7-10H2,1-3H3.
What are the key properties of 3-(5-trimethylsilylpenta-3,4-dienoxy)cyclohex-2-en-1-one?
3-(5-trimethylsilylpenta-3,4-dienoxy)cyclohex-2-en-1-one has a molecular weight of 250.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-trimethylsilylpenta-3,4-dienoxy)cyclohex-2-en-1-one is sourced from PubChem (CID 15363406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).