1-(acetyl-hex-1-ynyl-methylsilyl)ethanone

C11H18O2Si — CID 89427626

IUPAC1-(acetyl-hex-1-ynyl-methylsilyl)ethanone
SMILESCCCCC#C[Si](C)(C(C)=O)C(C)=O
InChIInChI=1S/C11H18O2Si/c1-5-6-7-8-9-14(4,10(2)12)11(3)13/h5-7H2,1-4H3
InChIKeyQVMRFPPSHAFFMN-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.05
Rot. Bonds4

About 1-(acetyl-hex-1-ynyl-methylsilyl)ethanone

1-(acetyl-hex-1-ynyl-methylsilyl)ethanone (PubChem CID 89427626) has the molecular formula C11H18O2Si and a molecular weight of 210.35 g/mol. Its IUPAC name is 1-(acetyl-hex-1-ynyl-methylsilyl)ethanone.

Molecular Properties

Compound Name1-(acetyl-hex-1-ynyl-methylsilyl)ethanone
PubChem CID89427626
Molecular FormulaC11H18O2Si
Molecular Weight210.35 g/mol
Exact Mass210.11
IUPAC Name1-(acetyl-hex-1-ynyl-methylsilyl)ethanone
SMILESCCCCC#C[Si](C)(C(C)=O)C(C)=O
InChIInChI=1S/C11H18O2Si/c1-5-6-7-8-9-14(4,10(2)12)11(3)13/h5-7H2,1-4H3
InChIKeyQVMRFPPSHAFFMN-UHFFFAOYSA-N
XLogP2.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.05
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(acetyl-hex-1-ynyl-methylsilyl)ethanone?
The IUPAC name of 1-(acetyl-hex-1-ynyl-methylsilyl)ethanone (CID 89427626) is 1-(acetyl-hex-1-ynyl-methylsilyl)ethanone.
What is the SMILES notation for 1-(acetyl-hex-1-ynyl-methylsilyl)ethanone?
The canonical SMILES for 1-(acetyl-hex-1-ynyl-methylsilyl)ethanone is CCCCC#C[Si](C)(C(C)=O)C(C)=O.
What is the InChIKey of 1-(acetyl-hex-1-ynyl-methylsilyl)ethanone?
The InChIKey is QVMRFPPSHAFFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2Si/c1-5-6-7-8-9-14(4,10(2)12)11(3)13/h5-7H2,1-4H3.
What are the key properties of 1-(acetyl-hex-1-ynyl-methylsilyl)ethanone?
1-(acetyl-hex-1-ynyl-methylsilyl)ethanone has a molecular weight of 210.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(acetyl-hex-1-ynyl-methylsilyl)ethanone is sourced from PubChem (CID 89427626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).