methyl 2-[chloro(dimethyl)silyl]undecanoate

C14H29ClO2Si — CID 11514827

IUPACmethyl 2-[chloro(dimethyl)silyl]undecanoate
SMILESCCCCCCCCCC(C(=O)OC)[Si](C)(C)Cl
InChIInChI=1S/C14H29ClO2Si/c1-5-6-7-8-9-10-11-12-13(14(16)17-2)18(3,4)15/h13H,5-12H2,1-4H3
InChIKeyKLPPVJPVIPHJOG-UHFFFAOYSA-N
MW292.92 g/mol
LogP5.11
Rot. Bonds10

About methyl 2-[chloro(dimethyl)silyl]undecanoate

methyl 2-[chloro(dimethyl)silyl]undecanoate (PubChem CID 11514827) has the molecular formula C14H29ClO2Si and a molecular weight of 292.92 g/mol. Its IUPAC name is methyl 2-[chloro(dimethyl)silyl]undecanoate.

Molecular Properties

Compound Namemethyl 2-[chloro(dimethyl)silyl]undecanoate
PubChem CID11514827
Molecular FormulaC14H29ClO2Si
Molecular Weight292.92 g/mol
Exact Mass292.16
IUPAC Namemethyl 2-[chloro(dimethyl)silyl]undecanoate
SMILESCCCCCCCCCC(C(=O)OC)[Si](C)(C)Cl
InChIInChI=1S/C14H29ClO2Si/c1-5-6-7-8-9-10-11-12-13(14(16)17-2)18(3,4)15/h13H,5-12H2,1-4H3
InChIKeyKLPPVJPVIPHJOG-UHFFFAOYSA-N
XLogP5.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.92
LogP ≤ 55.11
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': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

8-[chloro(dimethyl)silyl]tetradecan-7-one
CID 158320796
dimethyl 2-dodecylpropanedioate
CID 158514957
dimethyl 2,3-dihexadecylbutanedioate
CID 141293335
methyl 2-undecyltridecanoate
CID 176610383
methyl 2-trimethylsilyloxyhexadecanoate
CID 524469
methyl (2S)-2-aminotridecanoate
CID 88583666
methyl 2-aminononadecanoate
CID 140839745
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl 2-aminoheptadecanoate
CID 140839752
methyl (2S)-2-methylnonanoate
CID 12525304
methyl (2R)-2-methylnonanoate
CID 12525305
methyl 2-propyltetradecanoate
CID 174361538

Frequently Asked Questions

What is the IUPAC name of methyl 2-[chloro(dimethyl)silyl]undecanoate?
The IUPAC name of methyl 2-[chloro(dimethyl)silyl]undecanoate (CID 11514827) is methyl 2-[chloro(dimethyl)silyl]undecanoate.
What is the SMILES notation for methyl 2-[chloro(dimethyl)silyl]undecanoate?
The canonical SMILES for methyl 2-[chloro(dimethyl)silyl]undecanoate is CCCCCCCCCC(C(=O)OC)[Si](C)(C)Cl.
What is the InChIKey of methyl 2-[chloro(dimethyl)silyl]undecanoate?
The InChIKey is KLPPVJPVIPHJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29ClO2Si/c1-5-6-7-8-9-10-11-12-13(14(16)17-2)18(3,4)15/h13H,5-12H2,1-4H3.
What are the key properties of methyl 2-[chloro(dimethyl)silyl]undecanoate?
methyl 2-[chloro(dimethyl)silyl]undecanoate has a molecular weight of 292.92 g/mol, XLogP of 5.11, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[chloro(dimethyl)silyl]undecanoate is sourced from PubChem (CID 11514827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).