2-[chloro(dimethyl)silyl]ethyl 2-methylidenehexanoate

C11H21ClO2Si — CID 22368594

IUPAC2-[chloro(dimethyl)silyl]ethyl 2-methylidenehexanoate
SMILESC=C(CCCC)C(=O)OCC[Si](C)(C)Cl
InChIInChI=1S/C11H21ClO2Si/c1-5-6-7-10(2)11(13)14-8-9-15(3,4)12/h2,5-9H2,1,3-4H3
InChIKeyLUHHWIQNRDWSSF-UHFFFAOYSA-N
MW248.83 g/mol
LogP3.72
Rot. Bonds7

About 2-[chloro(dimethyl)silyl]ethyl 2-methylidenehexanoate

2-[chloro(dimethyl)silyl]ethyl 2-methylidenehexanoate (PubChem CID 22368594) has the molecular formula C11H21ClO2Si and a molecular weight of 248.83 g/mol. Its IUPAC name is 2-[chloro(dimethyl)silyl]ethyl 2-methylidenehexanoate.

Molecular Properties

Compound Name2-[chloro(dimethyl)silyl]ethyl 2-methylidenehexanoate
PubChem CID22368594
Molecular FormulaC11H21ClO2Si
Molecular Weight248.83 g/mol
Exact Mass248.10
IUPAC Name2-[chloro(dimethyl)silyl]ethyl 2-methylidenehexanoate
SMILESC=C(CCCC)C(=O)OCC[Si](C)(C)Cl
InChIInChI=1S/C11H21ClO2Si/c1-5-6-7-10(2)11(13)14-8-9-15(3,4)12/h2,5-9H2,1,3-4H3
InChIKeyLUHHWIQNRDWSSF-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': '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

2-aminoethyl 2-methylidenehexanoate
CID 54444822
nonyl 2-methylideneundecanoate
CID 142441213
heptyl 2-methylideneundecanoate
CID 176549260
butyl 2-methylideneoctanoate
CID 23364330
octadecyl 2-methylideneicosanoate
CID 57219526
2-prop-2-enoyloxyethyl 2-methylidenehexanoate
CID 56994433
3-prop-2-enoyloxypropyl 2-methylidenehexanoate
CID 56974872
3-methylbutyl 2-methylideneoctanoate
CID 174563366
nonyl 2-methylidenepentanoate
CID 90751965
butyl 2-(trimethylsilylmethyl)prop-2-enoate
CID 87213059
pentyl 5-methyl-2-methylidenehexanoate
CID 175083218
butyl 2-methylidenedecanoate;nitrous acid
CID 174807118

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(dimethyl)silyl]ethyl 2-methylidenehexanoate?
The IUPAC name of 2-[chloro(dimethyl)silyl]ethyl 2-methylidenehexanoate (CID 22368594) is 2-[chloro(dimethyl)silyl]ethyl 2-methylidenehexanoate.
What is the SMILES notation for 2-[chloro(dimethyl)silyl]ethyl 2-methylidenehexanoate?
The canonical SMILES for 2-[chloro(dimethyl)silyl]ethyl 2-methylidenehexanoate is C=C(CCCC)C(=O)OCC[Si](C)(C)Cl.
What is the InChIKey of 2-[chloro(dimethyl)silyl]ethyl 2-methylidenehexanoate?
The InChIKey is LUHHWIQNRDWSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO2Si/c1-5-6-7-10(2)11(13)14-8-9-15(3,4)12/h2,5-9H2,1,3-4H3.
What are the key properties of 2-[chloro(dimethyl)silyl]ethyl 2-methylidenehexanoate?
2-[chloro(dimethyl)silyl]ethyl 2-methylidenehexanoate 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 2-[chloro(dimethyl)silyl]ethyl 2-methylidenehexanoate is sourced from PubChem (CID 22368594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).