5-[chloro(dimethyl)silyl]pentyl but-2-enoate

C11H21ClO2Si — CID 174106073

IUPAC5-[chloro(dimethyl)silyl]pentyl but-2-enoate
SMILESCC=CC(=O)OCCCCC[Si](C)(C)Cl
InChIInChI=1S/C11H21ClO2Si/c1-4-8-11(13)14-9-6-5-7-10-15(2,3)12/h4,8H,5-7,9-10H2,1-3H3
InChIKeyIKZBYZKUNDNLLQ-UHFFFAOYSA-N
MW248.83 g/mol
LogP3.72
Rot. Bonds7

About 5-[chloro(dimethyl)silyl]pentyl but-2-enoate

5-[chloro(dimethyl)silyl]pentyl but-2-enoate (PubChem CID 174106073) has the molecular formula C11H21ClO2Si and a molecular weight of 248.83 g/mol. Its IUPAC name is 5-[chloro(dimethyl)silyl]pentyl but-2-enoate.

Molecular Properties

Compound Name5-[chloro(dimethyl)silyl]pentyl but-2-enoate
PubChem CID174106073
Molecular FormulaC11H21ClO2Si
Molecular Weight248.83 g/mol
Exact Mass248.10
IUPAC Name5-[chloro(dimethyl)silyl]pentyl but-2-enoate
SMILESCC=CC(=O)OCCCCC[Si](C)(C)Cl
InChIInChI=1S/C11H21ClO2Si/c1-4-8-11(13)14-9-6-5-7-10-15(2,3)12/h4,8H,5-7,9-10H2,1-3H3
InChIKeyIKZBYZKUNDNLLQ-UHFFFAOYSA-N
XLogP3.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.83
LogP ≤ 53.72
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

7-trichlorosilylheptyl but-2-enoate
CID 174106010
13-trichlorosilyltridecyl but-2-enoate
CID 174106076
9-trichlorosilylnonyl but-2-enoate
CID 174105776
14-trichlorosilyltetradecyl but-2-enoate
CID 174106042
8-trichlorosilyloctyl but-2-enoate
CID 174105922
19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate
CID 174106044
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
4-[fluoro(dimethyl)silyl]butyl but-2-enoate
CID 174106106
9-tri(propan-2-yloxy)silylnonyl but-2-enoate
CID 174208897
4-trifluorosilylbutyl but-2-enoate
CID 174106149
dodecyl (E)-but-2-enoate
CID 5462914
3-tri(propan-2-yl)silylpropyl but-2-enoate
CID 91430273

Frequently Asked Questions

What is the IUPAC name of 5-[chloro(dimethyl)silyl]pentyl but-2-enoate?
The IUPAC name of 5-[chloro(dimethyl)silyl]pentyl but-2-enoate (CID 174106073) is 5-[chloro(dimethyl)silyl]pentyl but-2-enoate.
What is the SMILES notation for 5-[chloro(dimethyl)silyl]pentyl but-2-enoate?
The canonical SMILES for 5-[chloro(dimethyl)silyl]pentyl but-2-enoate is CC=CC(=O)OCCCCC[Si](C)(C)Cl.
What is the InChIKey of 5-[chloro(dimethyl)silyl]pentyl but-2-enoate?
The InChIKey is IKZBYZKUNDNLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO2Si/c1-4-8-11(13)14-9-6-5-7-10-15(2,3)12/h4,8H,5-7,9-10H2,1-3H3.
What are the key properties of 5-[chloro(dimethyl)silyl]pentyl but-2-enoate?
5-[chloro(dimethyl)silyl]pentyl but-2-enoate has a molecular weight of 248.83 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(dimethyl)silyl]pentyl but-2-enoate is sourced from PubChem (CID 174106073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).