1-[(Z)-3-methyl-1-trimethylsilylbut-1-enyl]sulfanylpropan-2-one

C11H22OSSi — CID 10537460

IUPAC1-[(Z)-3-methyl-1-trimethylsilylbut-1-enyl]sulfanylpropan-2-one
SMILESCC(=O)CS/C(=C\C(C)C)[Si](C)(C)C
InChIInChI=1S/C11H22OSSi/c1-9(2)7-11(14(4,5)6)13-8-10(3)12/h7,9H,8H2,1-6H3/b11-7+
InChIKeyULQCNVLULLSFKF-YRNVUSSQSA-N
MW230.45 g/mol
LogP3.73
Rot. Bonds5

About 1-[(Z)-3-methyl-1-trimethylsilylbut-1-enyl]sulfanylpropan-2-one

1-[(Z)-3-methyl-1-trimethylsilylbut-1-enyl]sulfanylpropan-2-one (PubChem CID 10537460) has the molecular formula C11H22OSSi and a molecular weight of 230.45 g/mol. Its IUPAC name is 1-[(Z)-3-methyl-1-trimethylsilylbut-1-enyl]sulfanylpropan-2-one.

Molecular Properties

Compound Name1-[(Z)-3-methyl-1-trimethylsilylbut-1-enyl]sulfanylpropan-2-one
PubChem CID10537460
Molecular FormulaC11H22OSSi
Molecular Weight230.45 g/mol
Exact Mass230.12
IUPAC Name1-[(Z)-3-methyl-1-trimethylsilylbut-1-enyl]sulfanylpropan-2-one
SMILESCC(=O)CS/C(=C\C(C)C)[Si](C)(C)C
InChIInChI=1S/C11H22OSSi/c1-9(2)7-11(14(4,5)6)13-8-10(3)12/h7,9H,8H2,1-6H3/b11-7+
InChIKeyULQCNVLULLSFKF-YRNVUSSQSA-N
XLogP3.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-methyl-1-trimethylsilylbut-1-enyl]sulfanylpropan-2-one?
The IUPAC name of 1-[(Z)-3-methyl-1-trimethylsilylbut-1-enyl]sulfanylpropan-2-one (CID 10537460) is 1-[(Z)-3-methyl-1-trimethylsilylbut-1-enyl]sulfanylpropan-2-one.
What is the SMILES notation for 1-[(Z)-3-methyl-1-trimethylsilylbut-1-enyl]sulfanylpropan-2-one?
The canonical SMILES for 1-[(Z)-3-methyl-1-trimethylsilylbut-1-enyl]sulfanylpropan-2-one is CC(=O)CS/C(=C\C(C)C)[Si](C)(C)C.
What is the InChIKey of 1-[(Z)-3-methyl-1-trimethylsilylbut-1-enyl]sulfanylpropan-2-one?
The InChIKey is ULQCNVLULLSFKF-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H22OSSi/c1-9(2)7-11(14(4,5)6)13-8-10(3)12/h7,9H,8H2,1-6H3/b11-7+.
What are the key properties of 1-[(Z)-3-methyl-1-trimethylsilylbut-1-enyl]sulfanylpropan-2-one?
1-[(Z)-3-methyl-1-trimethylsilylbut-1-enyl]sulfanylpropan-2-one has a molecular weight of 230.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-methyl-1-trimethylsilylbut-1-enyl]sulfanylpropan-2-one is sourced from PubChem (CID 10537460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).