3-[hexan-2-yl(dimethyl)silyl]propyl prop-2-enoate

C14H28O2Si — CID 20631238

IUPAC3-[hexan-2-yl(dimethyl)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](C)(C)C(C)CCCC
InChIInChI=1S/C14H28O2Si/c1-6-8-10-13(3)17(4,5)12-9-11-16-14(15)7-2/h7,13H,2,6,8-12H2,1,3-5H3
InChIKeyIWKRSEYKRMDYJM-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.39
Rot. Bonds9

About 3-[hexan-2-yl(dimethyl)silyl]propyl prop-2-enoate

3-[hexan-2-yl(dimethyl)silyl]propyl prop-2-enoate (PubChem CID 20631238) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 3-[hexan-2-yl(dimethyl)silyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[hexan-2-yl(dimethyl)silyl]propyl prop-2-enoate
PubChem CID20631238
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name3-[hexan-2-yl(dimethyl)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](C)(C)C(C)CCCC
InChIInChI=1S/C14H28O2Si/c1-6-8-10-13(3)17(4,5)12-9-11-16-14(15)7-2/h7,13H,2,6,8-12H2,1,3-5H3
InChIKeyIWKRSEYKRMDYJM-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.39
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[hexan-2-yl(dimethyl)silyl]propyl prop-2-enoate?
The IUPAC name of 3-[hexan-2-yl(dimethyl)silyl]propyl prop-2-enoate (CID 20631238) is 3-[hexan-2-yl(dimethyl)silyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[hexan-2-yl(dimethyl)silyl]propyl prop-2-enoate?
The canonical SMILES for 3-[hexan-2-yl(dimethyl)silyl]propyl prop-2-enoate is C=CC(=O)OCCC[Si](C)(C)C(C)CCCC.
What is the InChIKey of 3-[hexan-2-yl(dimethyl)silyl]propyl prop-2-enoate?
The InChIKey is IWKRSEYKRMDYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-6-8-10-13(3)17(4,5)12-9-11-16-14(15)7-2/h7,13H,2,6,8-12H2,1,3-5H3.
What are the key properties of 3-[hexan-2-yl(dimethyl)silyl]propyl prop-2-enoate?
3-[hexan-2-yl(dimethyl)silyl]propyl prop-2-enoate has a molecular weight of 256.46 g/mol, XLogP of 4.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hexan-2-yl(dimethyl)silyl]propyl prop-2-enoate is sourced from PubChem (CID 20631238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).