6-(1-dimethylsilyloxy-4,4-dimethylpentyl)-3-ethoxycyclohex-2-en-1-one

C17H32O3Si — CID 173089362

IUPAC6-(1-dimethylsilyloxy-4,4-dimethylpentyl)-3-ethoxycyclohex-2-en-1-one
SMILESCCOC1=CC(=O)C(C(CCC(C)(C)C)O[SiH](C)C)CC1
InChIInChI=1S/C17H32O3Si/c1-7-19-13-8-9-14(15(18)12-13)16(20-21(5)6)10-11-17(2,3)4/h12,14,16,21H,7-11H2,1-6H3
InChIKeySXYOJCUAGIEDFI-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.08
Rot. Bonds7

About 6-(1-dimethylsilyloxy-4,4-dimethylpentyl)-3-ethoxycyclohex-2-en-1-one

6-(1-dimethylsilyloxy-4,4-dimethylpentyl)-3-ethoxycyclohex-2-en-1-one (PubChem CID 173089362) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is 6-(1-dimethylsilyloxy-4,4-dimethylpentyl)-3-ethoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name6-(1-dimethylsilyloxy-4,4-dimethylpentyl)-3-ethoxycyclohex-2-en-1-one
PubChem CID173089362
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name6-(1-dimethylsilyloxy-4,4-dimethylpentyl)-3-ethoxycyclohex-2-en-1-one
SMILESCCOC1=CC(=O)C(C(CCC(C)(C)C)O[SiH](C)C)CC1
InChIInChI=1S/C17H32O3Si/c1-7-19-13-8-9-14(15(18)12-13)16(20-21(5)6)10-11-17(2,3)4/h12,14,16,21H,7-11H2,1-6H3
InChIKeySXYOJCUAGIEDFI-UHFFFAOYSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Ethoxy-6-(5-methyl-1-trimethylsiloxy-4-hexenyl)-2-cyclohexen-1-one
CID 101618285
3-Ethoxy-6-[5-[hydroxy(dimethyl)silyl]-5-methylhexyl]cyclohex-2-en-1-one
CID 70827515
6-(3-Dimethylsilyloxy-4,4-dimethylpentyl)-3-ethoxycyclohex-2-en-1-one
CID 173089364
(5R,6S)-2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-ethoxy-5,6-dimethyl-6-[(3E)-3-methylocta-3,7-dienyl]cyclohex-2-en-1-one
CID 11155419
(3Z,7E,11R,12R)-2-[tert-butyl(dimethyl)silyl]oxy-14-ethoxy-8,11,12-trimethylbicyclo[9.3.1]pentadeca-1(14),3,7-trien-15-one
CID 11235835
(5R,6R)-2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-ethoxy-5,6-dimethyl-6-[(3E)-3-methylocta-3,7-dienyl]cyclohex-2-en-1-one
CID 11259728
(3E,7E,11R,12R)-2-[tert-butyl(dimethyl)silyl]oxy-14-ethoxy-8,11,12-trimethylbicyclo[9.3.1]pentadeca-1(14),3,7-trien-15-one
CID 11373864
(3E,7E,11S,12R)-2-[tert-butyl(dimethyl)silyl]oxy-14-ethoxy-8,11,12-trimethylbicyclo[9.3.1]pentadeca-1(14),3,7-trien-15-one
CID 11407835
(5R,6R)-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhepta-2,6-dienyl]-3-ethoxy-5,6-dimethyl-6-(3-methylbut-3-enyl)cyclohex-2-en-1-one
CID 11488352
6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-3-ethoxy-5,5-dimethylcyclohex-2-en-1-one
CID 11810387
(2S)-2-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]-6-methyl-2,3-dihydropyran-4-one
CID 21628073
(2R)-2-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]-6-methyl-2,3-dihydropyran-4-one
CID 21628074

Frequently Asked Questions

What is the IUPAC name of 6-(1-dimethylsilyloxy-4,4-dimethylpentyl)-3-ethoxycyclohex-2-en-1-one?
The IUPAC name of 6-(1-dimethylsilyloxy-4,4-dimethylpentyl)-3-ethoxycyclohex-2-en-1-one (CID 173089362) is 6-(1-dimethylsilyloxy-4,4-dimethylpentyl)-3-ethoxycyclohex-2-en-1-one.
What is the SMILES notation for 6-(1-dimethylsilyloxy-4,4-dimethylpentyl)-3-ethoxycyclohex-2-en-1-one?
The canonical SMILES for 6-(1-dimethylsilyloxy-4,4-dimethylpentyl)-3-ethoxycyclohex-2-en-1-one is CCOC1=CC(=O)C(C(CCC(C)(C)C)O[SiH](C)C)CC1.
What is the InChIKey of 6-(1-dimethylsilyloxy-4,4-dimethylpentyl)-3-ethoxycyclohex-2-en-1-one?
The InChIKey is SXYOJCUAGIEDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-7-19-13-8-9-14(15(18)12-13)16(20-21(5)6)10-11-17(2,3)4/h12,14,16,21H,7-11H2,1-6H3.
What are the key properties of 6-(1-dimethylsilyloxy-4,4-dimethylpentyl)-3-ethoxycyclohex-2-en-1-one?
6-(1-dimethylsilyloxy-4,4-dimethylpentyl)-3-ethoxycyclohex-2-en-1-one has a molecular weight of 312.53 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-dimethylsilyloxy-4,4-dimethylpentyl)-3-ethoxycyclohex-2-en-1-one is sourced from PubChem (CID 173089362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).