6-[fluoro(dimethyl)silyl]hexyl 2-methylprop-2-enoate

C12H23FO2Si — CID 156681330

IUPAC6-[fluoro(dimethyl)silyl]hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCC[Si](C)(C)F
InChIInChI=1S/C12H23FO2Si/c1-11(2)12(14)15-9-7-5-6-8-10-16(3,4)13/h1,5-10H2,2-4H3
InChIKeyRHJMPAQDNDICCU-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.84
Rot. Bonds8

About 6-[fluoro(dimethyl)silyl]hexyl 2-methylprop-2-enoate

6-[fluoro(dimethyl)silyl]hexyl 2-methylprop-2-enoate (PubChem CID 156681330) has the molecular formula C12H23FO2Si and a molecular weight of 246.40 g/mol. Its IUPAC name is 6-[fluoro(dimethyl)silyl]hexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-[fluoro(dimethyl)silyl]hexyl 2-methylprop-2-enoate
PubChem CID156681330
Molecular FormulaC12H23FO2Si
Molecular Weight246.40 g/mol
Exact Mass246.15
IUPAC Name6-[fluoro(dimethyl)silyl]hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCC[Si](C)(C)F
InChIInChI=1S/C12H23FO2Si/c1-11(2)12(14)15-9-7-5-6-8-10-16(3,4)13/h1,5-10H2,2-4H3
InChIKeyRHJMPAQDNDICCU-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.84
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 6-[fluoro(dimethyl)silyl]hexyl 2-methylprop-2-enoate?
The IUPAC name of 6-[fluoro(dimethyl)silyl]hexyl 2-methylprop-2-enoate (CID 156681330) is 6-[fluoro(dimethyl)silyl]hexyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-[fluoro(dimethyl)silyl]hexyl 2-methylprop-2-enoate?
The canonical SMILES for 6-[fluoro(dimethyl)silyl]hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCC[Si](C)(C)F.
What is the InChIKey of 6-[fluoro(dimethyl)silyl]hexyl 2-methylprop-2-enoate?
The InChIKey is RHJMPAQDNDICCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FO2Si/c1-11(2)12(14)15-9-7-5-6-8-10-16(3,4)13/h1,5-10H2,2-4H3.
What are the key properties of 6-[fluoro(dimethyl)silyl]hexyl 2-methylprop-2-enoate?
6-[fluoro(dimethyl)silyl]hexyl 2-methylprop-2-enoate has a molecular weight of 246.40 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[fluoro(dimethyl)silyl]hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 156681330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).