5-[dichloro(methyl)silyl]pentyl prop-2-enoate

C9H16Cl2O2Si — CID 171535330

IUPAC5-[dichloro(methyl)silyl]pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCC[Si](C)(Cl)Cl
InChIInChI=1S/C9H16Cl2O2Si/c1-3-9(12)13-7-5-4-6-8-14(2,10)11/h3H,1,4-8H2,2H3
InChIKeyINUANCAOOOOKHD-UHFFFAOYSA-N
MW255.22 g/mol
LogP3.44
Rot. Bonds7

About 5-[dichloro(methyl)silyl]pentyl prop-2-enoate

5-[dichloro(methyl)silyl]pentyl prop-2-enoate (PubChem CID 171535330) has the molecular formula C9H16Cl2O2Si and a molecular weight of 255.22 g/mol. Its IUPAC name is 5-[dichloro(methyl)silyl]pentyl prop-2-enoate.

Molecular Properties

Compound Name5-[dichloro(methyl)silyl]pentyl prop-2-enoate
PubChem CID171535330
Molecular FormulaC9H16Cl2O2Si
Molecular Weight255.22 g/mol
Exact Mass254.03
IUPAC Name5-[dichloro(methyl)silyl]pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCC[Si](C)(Cl)Cl
InChIInChI=1S/C9H16Cl2O2Si/c1-3-9(12)13-7-5-4-6-8-14(2,10)11/h3H,1,4-8H2,2H3
InChIKeyINUANCAOOOOKHD-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 53.44
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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Related Compounds

4-trichlorosilylbutyl prop-2-enoate
CID 54422038
8-[methoxy(dimethyl)silyl]octyl prop-2-enoate
CID 140662219
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate
CID 89309257
5-trifluorosilylpentyl prop-2-enoate
CID 156681471
5-tribromosilylpentyl prop-2-enoate
CID 156681433
4-[dimethyl(2-methylpropyl)silyl]butyl prop-2-enoate
CID 150833638
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259

Frequently Asked Questions

What is the IUPAC name of 5-[dichloro(methyl)silyl]pentyl prop-2-enoate?
The IUPAC name of 5-[dichloro(methyl)silyl]pentyl prop-2-enoate (CID 171535330) is 5-[dichloro(methyl)silyl]pentyl prop-2-enoate.
What is the SMILES notation for 5-[dichloro(methyl)silyl]pentyl prop-2-enoate?
The canonical SMILES for 5-[dichloro(methyl)silyl]pentyl prop-2-enoate is C=CC(=O)OCCCCC[Si](C)(Cl)Cl.
What is the InChIKey of 5-[dichloro(methyl)silyl]pentyl prop-2-enoate?
The InChIKey is INUANCAOOOOKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Cl2O2Si/c1-3-9(12)13-7-5-4-6-8-14(2,10)11/h3H,1,4-8H2,2H3.
What are the key properties of 5-[dichloro(methyl)silyl]pentyl prop-2-enoate?
5-[dichloro(methyl)silyl]pentyl prop-2-enoate has a molecular weight of 255.22 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dichloro(methyl)silyl]pentyl prop-2-enoate is sourced from PubChem (CID 171535330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).