3-(2-propylsilyloxyethoxy)hexan-3-yl 2-chloroprop-2-enoate

C14H27ClO4Si — CID 173460021

IUPAC3-(2-propylsilyloxyethoxy)hexan-3-yl 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)OC(CC)(CCC)OCCO[SiH2]CCC
InChIInChI=1S/C14H27ClO4Si/c1-5-8-14(7-3,19-13(16)12(4)15)17-9-10-18-20-11-6-2/h4-11,20H2,1-3H3
InChIKeyWCVDIPPXIYBELL-UHFFFAOYSA-N
MW322.91 g/mol
LogP3.13
Rot. Bonds12

About 3-(2-propylsilyloxyethoxy)hexan-3-yl 2-chloroprop-2-enoate

3-(2-propylsilyloxyethoxy)hexan-3-yl 2-chloroprop-2-enoate (PubChem CID 173460021) has the molecular formula C14H27ClO4Si and a molecular weight of 322.91 g/mol. Its IUPAC name is 3-(2-propylsilyloxyethoxy)hexan-3-yl 2-chloroprop-2-enoate.

Molecular Properties

Compound Name3-(2-propylsilyloxyethoxy)hexan-3-yl 2-chloroprop-2-enoate
PubChem CID173460021
Molecular FormulaC14H27ClO4Si
Molecular Weight322.91 g/mol
Exact Mass322.14
IUPAC Name3-(2-propylsilyloxyethoxy)hexan-3-yl 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)OC(CC)(CCC)OCCO[SiH2]CCC
InChIInChI=1S/C14H27ClO4Si/c1-5-8-14(7-3,19-13(16)12(4)15)17-9-10-18-20-11-6-2/h4-11,20H2,1-3H3
InChIKeyWCVDIPPXIYBELL-UHFFFAOYSA-N
XLogP3.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.91
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-ethyl-2-(2-propylsilyloxyethoxy)butyl] 2-chloroprop-2-enoate
CID 154251448
2-methylbut-3-en-2-yl 2-chloroprop-2-enoate
CID 139744898
2-(2,2-dichloroethoxysilyl)ethyl 2-methylprop-2-enoate
CID 154135001
3-methoxyhexan-3-yl prop-2-enoate
CID 118937172
prop-1-en-2-yloxy(propyl)silane
CID 151988829
tetradecyl 2-chloroprop-2-enoate
CID 54118378
(2-hexylsilyloxy-2-methylpropyl) 2-chloroprop-2-enoate
CID 154231806
4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate
CID 141057446
3,3-dimethylhexyl 2-methylprop-2-enoate
CID 59157270
methyl 3-hydroxy-2-methylidene-3-propylhexanoate
CID 14006518
2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
CID 141014982
[3-methoxysilyl-1,1-bis(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 173124808

Frequently Asked Questions

What is the IUPAC name of 3-(2-propylsilyloxyethoxy)hexan-3-yl 2-chloroprop-2-enoate?
The IUPAC name of 3-(2-propylsilyloxyethoxy)hexan-3-yl 2-chloroprop-2-enoate (CID 173460021) is 3-(2-propylsilyloxyethoxy)hexan-3-yl 2-chloroprop-2-enoate.
What is the SMILES notation for 3-(2-propylsilyloxyethoxy)hexan-3-yl 2-chloroprop-2-enoate?
The canonical SMILES for 3-(2-propylsilyloxyethoxy)hexan-3-yl 2-chloroprop-2-enoate is C=C(Cl)C(=O)OC(CC)(CCC)OCCO[SiH2]CCC.
What is the InChIKey of 3-(2-propylsilyloxyethoxy)hexan-3-yl 2-chloroprop-2-enoate?
The InChIKey is WCVDIPPXIYBELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClO4Si/c1-5-8-14(7-3,19-13(16)12(4)15)17-9-10-18-20-11-6-2/h4-11,20H2,1-3H3.
What are the key properties of 3-(2-propylsilyloxyethoxy)hexan-3-yl 2-chloroprop-2-enoate?
3-(2-propylsilyloxyethoxy)hexan-3-yl 2-chloroprop-2-enoate has a molecular weight of 322.91 g/mol, XLogP of 3.13, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylsilyloxyethoxy)hexan-3-yl 2-chloroprop-2-enoate is sourced from PubChem (CID 173460021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).