[7-prop-2-enoyloxy-4-(1-silyloxyethyl)heptyl] prop-2-enoate

C15H26O5Si — CID 173328991

IUPAC[7-prop-2-enoyloxy-4-(1-silyloxyethyl)heptyl] prop-2-enoate
SMILESC=CC(=O)OCCCC(CCCOC(=O)C=C)C(C)O[SiH3]
InChIInChI=1S/C15H26O5Si/c1-4-14(16)18-10-6-8-13(12(3)20-21)9-7-11-19-15(17)5-2/h4-5,12-13H,1-2,6-11H2,3,21H3
InChIKeyJJUDSDGLWWIVOH-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.31
Rot. Bonds12

About [7-prop-2-enoyloxy-4-(1-silyloxyethyl)heptyl] prop-2-enoate

[7-prop-2-enoyloxy-4-(1-silyloxyethyl)heptyl] prop-2-enoate (PubChem CID 173328991) has the molecular formula C15H26O5Si and a molecular weight of 314.45 g/mol. Its IUPAC name is [7-prop-2-enoyloxy-4-(1-silyloxyethyl)heptyl] prop-2-enoate.

Molecular Properties

Compound Name[7-prop-2-enoyloxy-4-(1-silyloxyethyl)heptyl] prop-2-enoate
PubChem CID173328991
Molecular FormulaC15H26O5Si
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name[7-prop-2-enoyloxy-4-(1-silyloxyethyl)heptyl] prop-2-enoate
SMILESC=CC(=O)OCCCC(CCCOC(=O)C=C)C(C)O[SiH3]
InChIInChI=1S/C15H26O5Si/c1-4-14(16)18-10-6-8-13(12(3)20-21)9-7-11-19-15(17)5-2/h4-5,12-13H,1-2,6-11H2,3,21H3
InChIKeyJJUDSDGLWWIVOH-UHFFFAOYSA-N
XLogP1.31
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-methylhexyl prop-2-enoate
CID 58980362
4-(dimethylamino)pentyl prop-2-enoate
CID 159489055
4-aminohexyl prop-2-enoate
CID 91140688
(6-methyl-5-propan-2-ylheptyl) prop-2-enoate
CID 162450476
4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 164930004
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
4-sulfanylhexyl prop-2-enoate
CID 141236879
4-hydroxyoctyl prop-2-enoate
CID 142754995
(4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate
CID 19429008
N-propan-2-ylpropan-2-amine;propyl prop-2-enoate
CID 175325942

Frequently Asked Questions

What is the IUPAC name of [7-prop-2-enoyloxy-4-(1-silyloxyethyl)heptyl] prop-2-enoate?
The IUPAC name of [7-prop-2-enoyloxy-4-(1-silyloxyethyl)heptyl] prop-2-enoate (CID 173328991) is [7-prop-2-enoyloxy-4-(1-silyloxyethyl)heptyl] prop-2-enoate.
What is the SMILES notation for [7-prop-2-enoyloxy-4-(1-silyloxyethyl)heptyl] prop-2-enoate?
The canonical SMILES for [7-prop-2-enoyloxy-4-(1-silyloxyethyl)heptyl] prop-2-enoate is C=CC(=O)OCCCC(CCCOC(=O)C=C)C(C)O[SiH3].
What is the InChIKey of [7-prop-2-enoyloxy-4-(1-silyloxyethyl)heptyl] prop-2-enoate?
The InChIKey is JJUDSDGLWWIVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5Si/c1-4-14(16)18-10-6-8-13(12(3)20-21)9-7-11-19-15(17)5-2/h4-5,12-13H,1-2,6-11H2,3,21H3.
What are the key properties of [7-prop-2-enoyloxy-4-(1-silyloxyethyl)heptyl] prop-2-enoate?
[7-prop-2-enoyloxy-4-(1-silyloxyethyl)heptyl] prop-2-enoate has a molecular weight of 314.45 g/mol, XLogP of 1.31, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-prop-2-enoyloxy-4-(1-silyloxyethyl)heptyl] prop-2-enoate is sourced from PubChem (CID 173328991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).