[acetyloxy-[(E)-hex-1-enyl]-methylsilyl] acetate

C11H20O4Si — CID 87963387

IUPAC[acetyloxy-[(E)-hex-1-enyl]-methylsilyl] acetate
SMILESCCCC/C=C/[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/h8-9H,5-7H2,1-4H3/b9-8+
InChIKeyKOIZGANULZZTMH-CMDGGOBGSA-N
MW244.36 g/mol
LogP2.47
Rot. Bonds6

About [acetyloxy-[(E)-hex-1-enyl]-methylsilyl] acetate

[acetyloxy-[(E)-hex-1-enyl]-methylsilyl] acetate (PubChem CID 87963387) has the molecular formula C11H20O4Si and a molecular weight of 244.36 g/mol. Its IUPAC name is [acetyloxy-[(E)-hex-1-enyl]-methylsilyl] acetate.

Molecular Properties

Compound Name[acetyloxy-[(E)-hex-1-enyl]-methylsilyl] acetate
PubChem CID87963387
Molecular FormulaC11H20O4Si
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Name[acetyloxy-[(E)-hex-1-enyl]-methylsilyl] acetate
SMILESCCCC/C=C/[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/h8-9H,5-7H2,1-4H3/b9-8+
InChIKeyKOIZGANULZZTMH-CMDGGOBGSA-N
XLogP2.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.47
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'}

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Frequently Asked Questions

What is the IUPAC name of [acetyloxy-[(E)-hex-1-enyl]-methylsilyl] acetate?
The IUPAC name of [acetyloxy-[(E)-hex-1-enyl]-methylsilyl] acetate (CID 87963387) is [acetyloxy-[(E)-hex-1-enyl]-methylsilyl] acetate.
What is the SMILES notation for [acetyloxy-[(E)-hex-1-enyl]-methylsilyl] acetate?
The canonical SMILES for [acetyloxy-[(E)-hex-1-enyl]-methylsilyl] acetate is CCCC/C=C/[Si](C)(OC(C)=O)OC(C)=O.
What is the InChIKey of [acetyloxy-[(E)-hex-1-enyl]-methylsilyl] acetate?
The InChIKey is KOIZGANULZZTMH-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H20O4Si/c1-5-6-7-8-9-16(4,14-10(2)12)15-11(3)13/h8-9H,5-7H2,1-4H3/b9-8+.
What are the key properties of [acetyloxy-[(E)-hex-1-enyl]-methylsilyl] acetate?
[acetyloxy-[(E)-hex-1-enyl]-methylsilyl] acetate has a molecular weight of 244.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-[(E)-hex-1-enyl]-methylsilyl] acetate is sourced from PubChem (CID 87963387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).