4-trimethylsilylhex-5-en-2-yl acetate

C11H22O2Si — CID 12865712

IUPAC4-trimethylsilylhex-5-en-2-yl acetate
SMILESC=CC(CC(C)OC(C)=O)[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-11(14(4,5)6)8-9(2)13-10(3)12/h7,9,11H,1,8H2,2-6H3
InChIKeyPCNUVVYNMVMKEN-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.22
Rot. Bonds5

About 4-trimethylsilylhex-5-en-2-yl acetate

4-trimethylsilylhex-5-en-2-yl acetate (PubChem CID 12865712) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 4-trimethylsilylhex-5-en-2-yl acetate.

Molecular Properties

Compound Name4-trimethylsilylhex-5-en-2-yl acetate
PubChem CID12865712
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name4-trimethylsilylhex-5-en-2-yl acetate
SMILESC=CC(CC(C)OC(C)=O)[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-7-11(14(4,5)6)8-9(2)13-10(3)12/h7,9,11H,1,8H2,2-6H3
InChIKeyPCNUVVYNMVMKEN-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.22
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 4-trimethylsilylhex-5-en-2-yl acetate?
The IUPAC name of 4-trimethylsilylhex-5-en-2-yl acetate (CID 12865712) is 4-trimethylsilylhex-5-en-2-yl acetate.
What is the SMILES notation for 4-trimethylsilylhex-5-en-2-yl acetate?
The canonical SMILES for 4-trimethylsilylhex-5-en-2-yl acetate is C=CC(CC(C)OC(C)=O)[Si](C)(C)C.
What is the InChIKey of 4-trimethylsilylhex-5-en-2-yl acetate?
The InChIKey is PCNUVVYNMVMKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-7-11(14(4,5)6)8-9(2)13-10(3)12/h7,9,11H,1,8H2,2-6H3.
What are the key properties of 4-trimethylsilylhex-5-en-2-yl acetate?
4-trimethylsilylhex-5-en-2-yl acetate has a molecular weight of 214.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilylhex-5-en-2-yl acetate is sourced from PubChem (CID 12865712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).