ethyl 4-(3-tripropylsilyloxycyclohex-2-en-1-yl)butanoate

C21H40O3Si — CID 132941734

IUPACethyl 4-(3-tripropylsilyloxycyclohex-2-en-1-yl)butanoate
SMILESCCC[Si](CCC)(CCC)OC1=CC(CCCC(=O)OCC)CCC1
InChIInChI=1S/C21H40O3Si/c1-5-15-25(16-6-2,17-7-3)24-20-13-9-11-19(18-20)12-10-14-21(22)23-8-4/h18-19H,5-17H2,1-4H3
InChIKeyKZCQMUONNFSQPH-UHFFFAOYSA-N
MW368.63 g/mol
LogP6.60
Rot. Bonds13

About ethyl 4-(3-tripropylsilyloxycyclohex-2-en-1-yl)butanoate

ethyl 4-(3-tripropylsilyloxycyclohex-2-en-1-yl)butanoate (PubChem CID 132941734) has the molecular formula C21H40O3Si and a molecular weight of 368.63 g/mol. Its IUPAC name is ethyl 4-(3-tripropylsilyloxycyclohex-2-en-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(3-tripropylsilyloxycyclohex-2-en-1-yl)butanoate
PubChem CID132941734
Molecular FormulaC21H40O3Si
Molecular Weight368.63 g/mol
Exact Mass368.27
IUPAC Nameethyl 4-(3-tripropylsilyloxycyclohex-2-en-1-yl)butanoate
SMILESCCC[Si](CCC)(CCC)OC1=CC(CCCC(=O)OCC)CCC1
InChIInChI=1S/C21H40O3Si/c1-5-15-25(16-6-2,17-7-3)24-20-13-9-11-19(18-20)12-10-14-21(22)23-8-4/h18-19H,5-17H2,1-4H3
InChIKeyKZCQMUONNFSQPH-UHFFFAOYSA-N
XLogP6.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.63
LogP ≤ 56.60
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

trimethyl-[3-(3-trimethylsilyloxycyclohex-2-en-1-yl)propyl]silane
CID 15505011
ethyl (1E)-3-octylcyclooctene-1-carboxylate
CID 134872732
ethyl 4-(4-phenylsulfanylcyclohex-2-en-1-yl)butanoate
CID 71344596
cyclohexane;ethyl 4-hydroxybutanoate
CID 67158425
diethyl hexanedioate
CID 160747628
ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]propanoate
CID 10380829
ethyl 4-[(2R)-oxiran-2-yl]butanoate
CID 10607030
ethyl (3S)-3-aminocyclohexene-1-carboxylate
CID 153367681
ethyl 4-piperidin-1-ium-4-ylbutanoate
CID 27282174
ethyl 4-piperidin-4-ylbutanoate
CID 10631848
ethyl 3-(2-methylcyclopentyl)propanoate
CID 21041510
diethyl icosanedioate
CID 5058538

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-tripropylsilyloxycyclohex-2-en-1-yl)butanoate?
The IUPAC name of ethyl 4-(3-tripropylsilyloxycyclohex-2-en-1-yl)butanoate (CID 132941734) is ethyl 4-(3-tripropylsilyloxycyclohex-2-en-1-yl)butanoate.
What is the SMILES notation for ethyl 4-(3-tripropylsilyloxycyclohex-2-en-1-yl)butanoate?
The canonical SMILES for ethyl 4-(3-tripropylsilyloxycyclohex-2-en-1-yl)butanoate is CCC[Si](CCC)(CCC)OC1=CC(CCCC(=O)OCC)CCC1.
What is the InChIKey of ethyl 4-(3-tripropylsilyloxycyclohex-2-en-1-yl)butanoate?
The InChIKey is KZCQMUONNFSQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O3Si/c1-5-15-25(16-6-2,17-7-3)24-20-13-9-11-19(18-20)12-10-14-21(22)23-8-4/h18-19H,5-17H2,1-4H3.
What are the key properties of ethyl 4-(3-tripropylsilyloxycyclohex-2-en-1-yl)butanoate?
ethyl 4-(3-tripropylsilyloxycyclohex-2-en-1-yl)butanoate has a molecular weight of 368.63 g/mol, XLogP of 6.60, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-tripropylsilyloxycyclohex-2-en-1-yl)butanoate is sourced from PubChem (CID 132941734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).