ethyl 3-[(1S)-3-trimethylsilyloxycyclohex-2-en-1-yl]propanoate

C14H26O3Si — CID 99772879

IUPACethyl 3-[(1S)-3-trimethylsilyloxycyclohex-2-en-1-yl]propanoate
SMILESCCOC(=O)CC[C@H]1C=C(O[Si](C)(C)C)CCC1
InChIInChI=1S/C14H26O3Si/c1-5-16-14(15)10-9-12-7-6-8-13(11-12)17-18(2,3)4/h11-12H,5-10H2,1-4H3/t12-/m0/s1
InChIKeyZDBIYPYXQWBGAN-LBPRGKRZSA-N
MW270.44 g/mol
LogP3.87
Rot. Bonds6

About ethyl 3-[(1S)-3-trimethylsilyloxycyclohex-2-en-1-yl]propanoate

ethyl 3-[(1S)-3-trimethylsilyloxycyclohex-2-en-1-yl]propanoate (PubChem CID 99772879) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is ethyl 3-[(1S)-3-trimethylsilyloxycyclohex-2-en-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(1S)-3-trimethylsilyloxycyclohex-2-en-1-yl]propanoate
PubChem CID99772879
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Nameethyl 3-[(1S)-3-trimethylsilyloxycyclohex-2-en-1-yl]propanoate
SMILESCCOC(=O)CC[C@H]1C=C(O[Si](C)(C)C)CCC1
InChIInChI=1S/C14H26O3Si/c1-5-16-14(15)10-9-12-7-6-8-13(11-12)17-18(2,3)4/h11-12H,5-10H2,1-4H3/t12-/m0/s1
InChIKeyZDBIYPYXQWBGAN-LBPRGKRZSA-N
XLogP3.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1S)-3-trimethylsilyloxycyclohex-2-en-1-yl]propanoate?
The IUPAC name of ethyl 3-[(1S)-3-trimethylsilyloxycyclohex-2-en-1-yl]propanoate (CID 99772879) is ethyl 3-[(1S)-3-trimethylsilyloxycyclohex-2-en-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[(1S)-3-trimethylsilyloxycyclohex-2-en-1-yl]propanoate?
The canonical SMILES for ethyl 3-[(1S)-3-trimethylsilyloxycyclohex-2-en-1-yl]propanoate is CCOC(=O)CC[C@H]1C=C(O[Si](C)(C)C)CCC1.
What is the InChIKey of ethyl 3-[(1S)-3-trimethylsilyloxycyclohex-2-en-1-yl]propanoate?
The InChIKey is ZDBIYPYXQWBGAN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-5-16-14(15)10-9-12-7-6-8-13(11-12)17-18(2,3)4/h11-12H,5-10H2,1-4H3/t12-/m0/s1.
What are the key properties of ethyl 3-[(1S)-3-trimethylsilyloxycyclohex-2-en-1-yl]propanoate?
ethyl 3-[(1S)-3-trimethylsilyloxycyclohex-2-en-1-yl]propanoate has a molecular weight of 270.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1S)-3-trimethylsilyloxycyclohex-2-en-1-yl]propanoate is sourced from PubChem (CID 99772879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).