(4-chloro-3-methylbut-2-en-2-yl)oxy-trimethylsilane

C8H17ClOSi — CID 139892135

IUPAC(4-chloro-3-methylbut-2-en-2-yl)oxy-trimethylsilane
SMILESCC(CCl)=C(C)O[Si](C)(C)C
InChIInChI=1S/C8H17ClOSi/c1-7(6-9)8(2)10-11(3,4)5/h6H2,1-5H3
InChIKeyRSZKITRLFUOTSS-UHFFFAOYSA-N
MW192.76 g/mol
LogP3.37
Rot. Bonds3

About (4-chloro-3-methylbut-2-en-2-yl)oxy-trimethylsilane

(4-chloro-3-methylbut-2-en-2-yl)oxy-trimethylsilane (PubChem CID 139892135) has the molecular formula C8H17ClOSi and a molecular weight of 192.76 g/mol. Its IUPAC name is (4-chloro-3-methylbut-2-en-2-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(4-chloro-3-methylbut-2-en-2-yl)oxy-trimethylsilane
PubChem CID139892135
Molecular FormulaC8H17ClOSi
Molecular Weight192.76 g/mol
Exact Mass192.07
IUPAC Name(4-chloro-3-methylbut-2-en-2-yl)oxy-trimethylsilane
SMILESCC(CCl)=C(C)O[Si](C)(C)C
InChIInChI=1S/C8H17ClOSi/c1-7(6-9)8(2)10-11(3,4)5/h6H2,1-5H3
InChIKeyRSZKITRLFUOTSS-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.76
LogP ≤ 53.37
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'}

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Related Compounds

[(Z)-3,4-dimethylpent-2-en-2-yl]oxy-trimethylsilane
CID 134988122
1-chloroethenoxy(trimethyl)silane
CID 175502754
trimethylsilyl (Z)-2-methyl-3-trimethylsilyloxybut-2-enoate
CID 5352679
4-chloro-3-trimethylsilyloxybut-2-enoic acid
CID 54248464
(Z)-3-trimethylsilyloxy-2-(1-trimethylsilyloxyethenyl)but-2-enenitrile
CID 101333897
[(Z)-2-chloro-1-ethoxyprop-1-enoxy]-trimethylsilane
CID 15683517
trimethylsilyl 2-oxopentanoate
CID 530075
[acetyloxy-(chloromethyl)-methylsilyl] acetate
CID 14272046
methyl (Z)-4-chloro-3-trimethylsilyloxybut-2-enoate
CID 86747713
4-methyl-3-trimethylsilyloxypent-3-enenitrile
CID 10081068
trimethyl-[(2E,4E)-5-trimethylsilyloxyhexa-2,4-dien-2-yl]oxysilane
CID 14065831
trimethylsilyl 2-oxopropanoate
CID 554459

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylbut-2-en-2-yl)oxy-trimethylsilane?
The IUPAC name of (4-chloro-3-methylbut-2-en-2-yl)oxy-trimethylsilane (CID 139892135) is (4-chloro-3-methylbut-2-en-2-yl)oxy-trimethylsilane.
What is the SMILES notation for (4-chloro-3-methylbut-2-en-2-yl)oxy-trimethylsilane?
The canonical SMILES for (4-chloro-3-methylbut-2-en-2-yl)oxy-trimethylsilane is CC(CCl)=C(C)O[Si](C)(C)C.
What is the InChIKey of (4-chloro-3-methylbut-2-en-2-yl)oxy-trimethylsilane?
The InChIKey is RSZKITRLFUOTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClOSi/c1-7(6-9)8(2)10-11(3,4)5/h6H2,1-5H3.
What are the key properties of (4-chloro-3-methylbut-2-en-2-yl)oxy-trimethylsilane?
(4-chloro-3-methylbut-2-en-2-yl)oxy-trimethylsilane has a molecular weight of 192.76 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylbut-2-en-2-yl)oxy-trimethylsilane is sourced from PubChem (CID 139892135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).