trimethylsilyl hept-2-enoate

C10H20O2Si — CID 554799

IUPACtrimethylsilyl hept-2-enoate
SMILESCCCCC=CC(=O)O[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-5-6-7-8-9-10(11)12-13(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyQPKLNSFJIMVOON-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.11
Rot. Bonds5

About trimethylsilyl hept-2-enoate

trimethylsilyl hept-2-enoate (PubChem CID 554799) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is trimethylsilyl hept-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl hept-2-enoate
PubChem CID554799
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Nametrimethylsilyl hept-2-enoate
SMILESCCCCC=CC(=O)O[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-5-6-7-8-9-10(11)12-13(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyQPKLNSFJIMVOON-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.11
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl hept-2-enoate?
The IUPAC name of trimethylsilyl hept-2-enoate (CID 554799) is trimethylsilyl hept-2-enoate.
What is the SMILES notation for trimethylsilyl hept-2-enoate?
The canonical SMILES for trimethylsilyl hept-2-enoate is CCCCC=CC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl hept-2-enoate?
The InChIKey is QPKLNSFJIMVOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-5-6-7-8-9-10(11)12-13(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of trimethylsilyl hept-2-enoate?
trimethylsilyl hept-2-enoate has a molecular weight of 200.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl hept-2-enoate is sourced from PubChem (CID 554799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).