[(E)-6-trimethylsilylhex-4-en-2-yl] acetate

C11H22O2Si — CID 12754625

IUPAC[(E)-6-trimethylsilylhex-4-en-2-yl] acetate
SMILESCC(=O)OC(C)C/C=C/C[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-10(13-11(2)12)8-6-7-9-14(3,4)5/h6-7,10H,8-9H2,1-5H3/b7-6+
InChIKeyANPVRGQFXXOILC-VOTSOKGWSA-N
MW214.38 g/mol
LogP3.22
Rot. Bonds5

About [(E)-6-trimethylsilylhex-4-en-2-yl] acetate

[(E)-6-trimethylsilylhex-4-en-2-yl] acetate (PubChem CID 12754625) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is [(E)-6-trimethylsilylhex-4-en-2-yl] acetate.

Molecular Properties

Compound Name[(E)-6-trimethylsilylhex-4-en-2-yl] acetate
PubChem CID12754625
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name[(E)-6-trimethylsilylhex-4-en-2-yl] acetate
SMILESCC(=O)OC(C)C/C=C/C[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-10(13-11(2)12)8-6-7-9-14(3,4)5/h6-7,10H,8-9H2,1-5H3/b7-6+
InChIKeyANPVRGQFXXOILC-VOTSOKGWSA-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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Related Compounds

4-Hepten-2-ol, acetate, (Z)-
CID 5352816
Hex-4-en-2-yl acetate
CID 53762190
Hept-4-en-2-yl acetate
CID 529501
[(3R)-1-trimethylsilylhex-5-en-1-yn-3-yl] acetate
CID 11424365
4-Trimethylsilylhex-5-en-2-yl acetate
CID 12865712
ethyl (E)-2-trimethylsilylpent-3-enoate
CID 13217741
[(E)-4-triethylsilylbut-3-enyl] acetate
CID 18469590
[(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate
CID 102486405
[(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate
CID 102486407
(4z,8z)-2-Acetoxy-4,8-tridecadiene
CID 129775977
(e,e)-4,8-Tridecadien-2-yl acetate
CID 129776040
[(2S,3Z,6Z)-7-trimethylsilylhepta-3,6-dien-2-yl] acetate
CID 134916729

Frequently Asked Questions

What is the IUPAC name of [(E)-6-trimethylsilylhex-4-en-2-yl] acetate?
The IUPAC name of [(E)-6-trimethylsilylhex-4-en-2-yl] acetate (CID 12754625) is [(E)-6-trimethylsilylhex-4-en-2-yl] acetate.
What is the SMILES notation for [(E)-6-trimethylsilylhex-4-en-2-yl] acetate?
The canonical SMILES for [(E)-6-trimethylsilylhex-4-en-2-yl] acetate is CC(=O)OC(C)C/C=C/C[Si](C)(C)C.
What is the InChIKey of [(E)-6-trimethylsilylhex-4-en-2-yl] acetate?
The InChIKey is ANPVRGQFXXOILC-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-10(13-11(2)12)8-6-7-9-14(3,4)5/h6-7,10H,8-9H2,1-5H3/b7-6+.
What are the key properties of [(E)-6-trimethylsilylhex-4-en-2-yl] acetate?
[(E)-6-trimethylsilylhex-4-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 [(E)-6-trimethylsilylhex-4-en-2-yl] acetate is sourced from PubChem (CID 12754625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).