4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate

C8H14Cl2O2Si — CID 159860704

IUPAC4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CC[Si](C)(Cl)Cl
InChIInChI=1S/C8H14Cl2O2Si/c1-4-8(11)12-7(2)5-6-13(3,9)10/h4,7H,1,5-6H2,2-3H3
InChIKeyNRCIQZGVMSMGKP-UHFFFAOYSA-N
MW241.19 g/mol
LogP3.04
Rot. Bonds5

About 4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate

4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate (PubChem CID 159860704) has the molecular formula C8H14Cl2O2Si and a molecular weight of 241.19 g/mol. Its IUPAC name is 4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate.

Molecular Properties

Compound Name4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate
PubChem CID159860704
Molecular FormulaC8H14Cl2O2Si
Molecular Weight241.19 g/mol
Exact Mass240.01
IUPAC Name4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CC[Si](C)(Cl)Cl
InChIInChI=1S/C8H14Cl2O2Si/c1-4-8(11)12-7(2)5-6-13(3,9)10/h4,7H,1,5-6H2,2-3H3
InChIKeyNRCIQZGVMSMGKP-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

4-trichlorosilylbutan-2-yl prop-2-enoate
CID 141005988
[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate
CID 141155203
21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate
CID 168864206
14-trichlorosilyltetradecan-2-yl prop-2-enoate
CID 168864094
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
4-[methyl(dipropoxy)silyl]butan-2-yl prop-2-enoate
CID 174739183
5-methylhexan-2-yl prop-2-enoate
CID 151222941
20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate
CID 168864209
19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate
CID 168864259
15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274
9-trihydroxysilylnonan-2-yl prop-2-enoate
CID 176894316
6-triiodosilylhexan-2-yl prop-2-enoate
CID 168864108

Frequently Asked Questions

What is the IUPAC name of 4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate?
The IUPAC name of 4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate (CID 159860704) is 4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate.
What is the SMILES notation for 4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate?
The canonical SMILES for 4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate is C=CC(=O)OC(C)CC[Si](C)(Cl)Cl.
What is the InChIKey of 4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate?
The InChIKey is NRCIQZGVMSMGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2O2Si/c1-4-8(11)12-7(2)5-6-13(3,9)10/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate?
4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate has a molecular weight of 241.19 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate is sourced from PubChem (CID 159860704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).