(acetyloxy-hex-5-enyl-methylsilyl) acetate

C11H20O4Si — CID 150561189

IUPAC(acetyloxy-hex-5-enyl-methylsilyl) acetate
SMILESC=CCCCC[Si](C)(OC(C)=O)OC(C)=O
InChIInChI=1S/C11H20O4Si/c1-5-6-7-8-9-16(4,14-10(2)12)15-11(3)13/h5H,1,6-9H2,2-4H3
InChIKeyIJWPRXYSGCASDQ-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.54
Rot. Bonds7

About (acetyloxy-hex-5-enyl-methylsilyl) acetate

(acetyloxy-hex-5-enyl-methylsilyl) acetate (PubChem CID 150561189) has the molecular formula C11H20O4Si and a molecular weight of 244.36 g/mol. Its IUPAC name is (acetyloxy-hex-5-enyl-methylsilyl) acetate.

Molecular Properties

Compound Name(acetyloxy-hex-5-enyl-methylsilyl) acetate
PubChem CID150561189
Molecular FormulaC11H20O4Si
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Name(acetyloxy-hex-5-enyl-methylsilyl) acetate
SMILESC=CCCCC[Si](C)(OC(C)=O)OC(C)=O
InChIInChI=1S/C11H20O4Si/c1-5-6-7-8-9-16(4,14-10(2)12)15-11(3)13/h5H,1,6-9H2,2-4H3
InChIKeyIJWPRXYSGCASDQ-UHFFFAOYSA-N
XLogP2.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (acetyloxy-hex-5-enyl-methylsilyl) acetate?
The IUPAC name of (acetyloxy-hex-5-enyl-methylsilyl) acetate (CID 150561189) is (acetyloxy-hex-5-enyl-methylsilyl) acetate.
What is the SMILES notation for (acetyloxy-hex-5-enyl-methylsilyl) acetate?
The canonical SMILES for (acetyloxy-hex-5-enyl-methylsilyl) acetate is C=CCCCC[Si](C)(OC(C)=O)OC(C)=O.
What is the InChIKey of (acetyloxy-hex-5-enyl-methylsilyl) acetate?
The InChIKey is IJWPRXYSGCASDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4Si/c1-5-6-7-8-9-16(4,14-10(2)12)15-11(3)13/h5H,1,6-9H2,2-4H3.
What are the key properties of (acetyloxy-hex-5-enyl-methylsilyl) acetate?
(acetyloxy-hex-5-enyl-methylsilyl) acetate has a molecular weight of 244.36 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (acetyloxy-hex-5-enyl-methylsilyl) acetate is sourced from PubChem (CID 150561189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).