3-[chloro(dimethyl)silyl]propyl 2-methylideneoctanoate

C14H27ClO2Si — CID 139621811

IUPAC3-[chloro(dimethyl)silyl]propyl 2-methylideneoctanoate
SMILESC=C(CCCCCC)C(=O)OCCC[Si](C)(C)Cl
InChIInChI=1S/C14H27ClO2Si/c1-5-6-7-8-10-13(2)14(16)17-11-9-12-18(3,4)15/h2,5-12H2,1,3-4H3
InChIKeyCNBATYTZQDSUDH-UHFFFAOYSA-N
MW290.91 g/mol
LogP4.89
Rot. Bonds10

About 3-[chloro(dimethyl)silyl]propyl 2-methylideneoctanoate

3-[chloro(dimethyl)silyl]propyl 2-methylideneoctanoate (PubChem CID 139621811) has the molecular formula C14H27ClO2Si and a molecular weight of 290.91 g/mol. Its IUPAC name is 3-[chloro(dimethyl)silyl]propyl 2-methylideneoctanoate.

Molecular Properties

Compound Name3-[chloro(dimethyl)silyl]propyl 2-methylideneoctanoate
PubChem CID139621811
Molecular FormulaC14H27ClO2Si
Molecular Weight290.91 g/mol
Exact Mass290.15
IUPAC Name3-[chloro(dimethyl)silyl]propyl 2-methylideneoctanoate
SMILESC=C(CCCCCC)C(=O)OCCC[Si](C)(C)Cl
InChIInChI=1S/C14H27ClO2Si/c1-5-6-7-8-10-13(2)14(16)17-11-9-12-18(3,4)15/h2,5-12H2,1,3-4H3
InChIKeyCNBATYTZQDSUDH-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.91
LogP ≤ 54.89
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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Frequently Asked Questions

What is the IUPAC name of 3-[chloro(dimethyl)silyl]propyl 2-methylideneoctanoate?
The IUPAC name of 3-[chloro(dimethyl)silyl]propyl 2-methylideneoctanoate (CID 139621811) is 3-[chloro(dimethyl)silyl]propyl 2-methylideneoctanoate.
What is the SMILES notation for 3-[chloro(dimethyl)silyl]propyl 2-methylideneoctanoate?
The canonical SMILES for 3-[chloro(dimethyl)silyl]propyl 2-methylideneoctanoate is C=C(CCCCCC)C(=O)OCCC[Si](C)(C)Cl.
What is the InChIKey of 3-[chloro(dimethyl)silyl]propyl 2-methylideneoctanoate?
The InChIKey is CNBATYTZQDSUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClO2Si/c1-5-6-7-8-10-13(2)14(16)17-11-9-12-18(3,4)15/h2,5-12H2,1,3-4H3.
What are the key properties of 3-[chloro(dimethyl)silyl]propyl 2-methylideneoctanoate?
3-[chloro(dimethyl)silyl]propyl 2-methylideneoctanoate has a molecular weight of 290.91 g/mol, XLogP of 4.89, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(dimethyl)silyl]propyl 2-methylideneoctanoate is sourced from PubChem (CID 139621811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).