[(Z)-1,3-dichlorobut-1-en-2-yl]oxy-trimethylsilane

C7H14Cl2OSi — CID 12922062

IUPAC[(Z)-1,3-dichlorobut-1-en-2-yl]oxy-trimethylsilane
SMILESCC(Cl)/C(=C/Cl)O[Si](C)(C)C
InChIInChI=1S/C7H14Cl2OSi/c1-6(9)7(5-8)10-11(2,3)4/h5-6H,1-4H3/b7-5-
InChIKeyFMXRGENZKPYBNR-ALCCZGGFSA-N
MW213.18 g/mol
LogP3.55
Rot. Bonds3

About [(Z)-1,3-dichlorobut-1-en-2-yl]oxy-trimethylsilane

[(Z)-1,3-dichlorobut-1-en-2-yl]oxy-trimethylsilane (PubChem CID 12922062) has the molecular formula C7H14Cl2OSi and a molecular weight of 213.18 g/mol. Its IUPAC name is [(Z)-1,3-dichlorobut-1-en-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(Z)-1,3-dichlorobut-1-en-2-yl]oxy-trimethylsilane
PubChem CID12922062
Molecular FormulaC7H14Cl2OSi
Molecular Weight213.18 g/mol
Exact Mass212.02
IUPAC Name[(Z)-1,3-dichlorobut-1-en-2-yl]oxy-trimethylsilane
SMILESCC(Cl)/C(=C/Cl)O[Si](C)(C)C
InChIInChI=1S/C7H14Cl2OSi/c1-6(9)7(5-8)10-11(2,3)4/h5-6H,1-4H3/b7-5-
InChIKeyFMXRGENZKPYBNR-ALCCZGGFSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(Z)-1,3-dichlorobut-1-en-2-yl]oxy-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-2,4-dichloropent-2-en-3-yl]oxy-trimethylsilane
CID 12922066
[(3E)-4-chloro-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 138969726
4-ethylhex-2-en-3-yloxy(trimethyl)silane
CID 71403542
(E,3S,4R,5R)-3,5-dimethyl-6-trimethylsilyloxyoct-6-en-4-ol
CID 10490532
(Z)-4-chloro-3-methoxypent-2-enoic acid
CID 87194712
(2-chloro-1-ethoxyethenoxy)-trimethylsilane
CID 54233716
[(Z)-5-ethylhept-3-en-4-yl]oxy-trimethylsilane
CID 13249715
[(1Z,3Z)-4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 44607061
(Z)-3-chloro-N,N-bis(trimethylsilyl)-2-trimethylsilyloxyprop-2-en-1-amine
CID 10426388
bis(cyclopentane);(3S,4S,5Z)-4-methyl-5-trimethylsilyloxyhepta-1,5-dien-3-ol;titanium(2+)
CID 22864915
[(Z)-3,4-dimethylpent-2-en-2-yl]oxy-trimethylsilane
CID 134988122
trimethyl-[(2E,4E)-5-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane
CID 14065831

Frequently Asked Questions

What is the IUPAC name of [(Z)-1,3-dichlorobut-1-en-2-yl]oxy-trimethylsilane?
The IUPAC name of [(Z)-1,3-dichlorobut-1-en-2-yl]oxy-trimethylsilane (CID 12922062) is [(Z)-1,3-dichlorobut-1-en-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(Z)-1,3-dichlorobut-1-en-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(Z)-1,3-dichlorobut-1-en-2-yl]oxy-trimethylsilane is CC(Cl)/C(=C/Cl)O[Si](C)(C)C.
What is the InChIKey of [(Z)-1,3-dichlorobut-1-en-2-yl]oxy-trimethylsilane?
The InChIKey is FMXRGENZKPYBNR-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H14Cl2OSi/c1-6(9)7(5-8)10-11(2,3)4/h5-6H,1-4H3/b7-5-.
What are the key properties of [(Z)-1,3-dichlorobut-1-en-2-yl]oxy-trimethylsilane?
[(Z)-1,3-dichlorobut-1-en-2-yl]oxy-trimethylsilane has a molecular weight of 213.18 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1,3-dichlorobut-1-en-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 12922062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).