ethyl (1S)-2-(trimethylsilylmethyl)cycloprop-2-ene-1-carboxylate

C10H18O2Si — CID 11680012

IUPACethyl (1S)-2-(trimethylsilylmethyl)cycloprop-2-ene-1-carboxylate
SMILESCCOC(=O)[C@H]1C=C1C[Si](C)(C)C
InChIInChI=1S/C10H18O2Si/c1-5-12-10(11)9-6-8(9)7-13(2,3)4/h6,9H,5,7H2,1-4H3/t9-/m0/s1
InChIKeyGDHSBHHCXDSMDL-VIFPVBQESA-N
MW198.34 g/mol
LogP2.44
Rot. Bonds4

About ethyl (1S)-2-(trimethylsilylmethyl)cycloprop-2-ene-1-carboxylate

ethyl (1S)-2-(trimethylsilylmethyl)cycloprop-2-ene-1-carboxylate (PubChem CID 11680012) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is ethyl (1S)-2-(trimethylsilylmethyl)cycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S)-2-(trimethylsilylmethyl)cycloprop-2-ene-1-carboxylate
PubChem CID11680012
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Nameethyl (1S)-2-(trimethylsilylmethyl)cycloprop-2-ene-1-carboxylate
SMILESCCOC(=O)[C@H]1C=C1C[Si](C)(C)C
InChIInChI=1S/C10H18O2Si/c1-5-12-10(11)9-6-8(9)7-13(2,3)4/h6,9H,5,7H2,1-4H3/t9-/m0/s1
InChIKeyGDHSBHHCXDSMDL-VIFPVBQESA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of ethyl (1S)-2-(trimethylsilylmethyl)cycloprop-2-ene-1-carboxylate?
The IUPAC name of ethyl (1S)-2-(trimethylsilylmethyl)cycloprop-2-ene-1-carboxylate (CID 11680012) is ethyl (1S)-2-(trimethylsilylmethyl)cycloprop-2-ene-1-carboxylate.
What is the SMILES notation for ethyl (1S)-2-(trimethylsilylmethyl)cycloprop-2-ene-1-carboxylate?
The canonical SMILES for ethyl (1S)-2-(trimethylsilylmethyl)cycloprop-2-ene-1-carboxylate is CCOC(=O)[C@H]1C=C1C[Si](C)(C)C.
What is the InChIKey of ethyl (1S)-2-(trimethylsilylmethyl)cycloprop-2-ene-1-carboxylate?
The InChIKey is GDHSBHHCXDSMDL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18O2Si/c1-5-12-10(11)9-6-8(9)7-13(2,3)4/h6,9H,5,7H2,1-4H3/t9-/m0/s1.
What are the key properties of ethyl (1S)-2-(trimethylsilylmethyl)cycloprop-2-ene-1-carboxylate?
ethyl (1S)-2-(trimethylsilylmethyl)cycloprop-2-ene-1-carboxylate has a molecular weight of 198.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S)-2-(trimethylsilylmethyl)cycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 11680012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).