(2-hexylsilyloxy-2-methylpropyl) 2-chloroprop-2-enoate

C13H25ClO3Si — CID 154231806

IUPAC(2-hexylsilyloxy-2-methylpropyl) 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)OCC(C)(C)O[SiH2]CCCCCC
InChIInChI=1S/C13H25ClO3Si/c1-5-6-7-8-9-18-17-13(3,4)10-16-12(15)11(2)14/h2,5-10,18H2,1,3-4H3
InChIKeyKKQMINMTTIJOFI-UHFFFAOYSA-N
MW292.88 g/mol
LogP3.16
Rot. Bonds10

About (2-hexylsilyloxy-2-methylpropyl) 2-chloroprop-2-enoate

(2-hexylsilyloxy-2-methylpropyl) 2-chloroprop-2-enoate (PubChem CID 154231806) has the molecular formula C13H25ClO3Si and a molecular weight of 292.88 g/mol. Its IUPAC name is (2-hexylsilyloxy-2-methylpropyl) 2-chloroprop-2-enoate.

Molecular Properties

Compound Name(2-hexylsilyloxy-2-methylpropyl) 2-chloroprop-2-enoate
PubChem CID154231806
Molecular FormulaC13H25ClO3Si
Molecular Weight292.88 g/mol
Exact Mass292.13
IUPAC Name(2-hexylsilyloxy-2-methylpropyl) 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)OCC(C)(C)O[SiH2]CCCCCC
InChIInChI=1S/C13H25ClO3Si/c1-5-6-7-8-9-18-17-13(3,4)10-16-12(15)11(2)14/h2,5-10,18H2,1,3-4H3
InChIKeyKKQMINMTTIJOFI-UHFFFAOYSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.88
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

tetradecyl 2-chloroprop-2-enoate
CID 54118378
hexyl-[(2-methylpropan-2-yl)oxy]silane
CID 123485750
(2-methylpropan-2-yl)oxy-undecylsilane
CID 174595144
1-O-dodecyl 4-O-octylsilyl but-2-enedioate
CID 173067006
butyl prop-2-enoate;ethyl 2-chloroprop-2-enoate;ethyl prop-2-enoate
CID 88829985
ethyl 4-butyl-3-hydroxy-4-methyl-2-methylideneundecanoate
CID 129033526
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-methylideneoctanoate
CID 141487337
2-amino-2-methylpentadecan-3-one
CID 116560229
2-amino-2-methyloctadecan-3-one
CID 175961283
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
methyl 3,3-dimethyl-2-methylidenenonadecanoate
CID 175497695
ethyl 2-methylideneicosanoate
CID 22336431

Frequently Asked Questions

What is the IUPAC name of (2-hexylsilyloxy-2-methylpropyl) 2-chloroprop-2-enoate?
The IUPAC name of (2-hexylsilyloxy-2-methylpropyl) 2-chloroprop-2-enoate (CID 154231806) is (2-hexylsilyloxy-2-methylpropyl) 2-chloroprop-2-enoate.
What is the SMILES notation for (2-hexylsilyloxy-2-methylpropyl) 2-chloroprop-2-enoate?
The canonical SMILES for (2-hexylsilyloxy-2-methylpropyl) 2-chloroprop-2-enoate is C=C(Cl)C(=O)OCC(C)(C)O[SiH2]CCCCCC.
What is the InChIKey of (2-hexylsilyloxy-2-methylpropyl) 2-chloroprop-2-enoate?
The InChIKey is KKQMINMTTIJOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClO3Si/c1-5-6-7-8-9-18-17-13(3,4)10-16-12(15)11(2)14/h2,5-10,18H2,1,3-4H3.
What are the key properties of (2-hexylsilyloxy-2-methylpropyl) 2-chloroprop-2-enoate?
(2-hexylsilyloxy-2-methylpropyl) 2-chloroprop-2-enoate has a molecular weight of 292.88 g/mol, XLogP of 3.16, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hexylsilyloxy-2-methylpropyl) 2-chloroprop-2-enoate is sourced from PubChem (CID 154231806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).