(8-dimethoxysilyl-3-methyloctyl) prop-2-enoate

C14H28O4Si — CID 172781685

IUPAC(8-dimethoxysilyl-3-methyloctyl) prop-2-enoate
SMILESC=CC(=O)OCCC(C)CCCCC[SiH](OC)OC
InChIInChI=1S/C14H28O4Si/c1-5-14(15)18-11-10-13(2)9-7-6-8-12-19(16-3)17-4/h5,13,19H,1,6-12H2,2-4H3
InChIKeyOIPSUXKVORXNCM-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.82
Rot. Bonds12

About (8-dimethoxysilyl-3-methyloctyl) prop-2-enoate

(8-dimethoxysilyl-3-methyloctyl) prop-2-enoate (PubChem CID 172781685) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is (8-dimethoxysilyl-3-methyloctyl) prop-2-enoate.

Molecular Properties

Compound Name(8-dimethoxysilyl-3-methyloctyl) prop-2-enoate
PubChem CID172781685
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name(8-dimethoxysilyl-3-methyloctyl) prop-2-enoate
SMILESC=CC(=O)OCCC(C)CCCCC[SiH](OC)OC
InChIInChI=1S/C14H28O4Si/c1-5-14(15)18-11-10-13(2)9-7-6-8-12-19(16-3)17-4/h5,13,19H,1,6-12H2,2-4H3
InChIKeyOIPSUXKVORXNCM-UHFFFAOYSA-N
XLogP2.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.82
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-dimethoxysilylethyl prop-2-enoate
CID 123256455
6-methyltetradecyl prop-2-enoate
CID 87169125
7-methyltridecyl prop-2-enoate
CID 139834261
6-methylnonyl prop-2-enoate
CID 21298968
(8-amino-2-methyloctyl) prop-2-enoate
CID 150808477
dimethoxy(propyl)silane;propyl prop-2-enoate
CID 174852514
4-methylhexyl prop-2-enoate
CID 58980362
6-methylheptyl prop-2-enoate;prop-2-enamide
CID 6452299
3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate
CID 162239045
carbonic acid;3,7-dimethyloct-6-enyl prop-2-enoate
CID 174517653
(6-methyl-5-propan-2-ylheptyl) prop-2-enoate
CID 162450476
dimethoxy(5-methylheptyl)silane
CID 175551752

Frequently Asked Questions

What is the IUPAC name of (8-dimethoxysilyl-3-methyloctyl) prop-2-enoate?
The IUPAC name of (8-dimethoxysilyl-3-methyloctyl) prop-2-enoate (CID 172781685) is (8-dimethoxysilyl-3-methyloctyl) prop-2-enoate.
What is the SMILES notation for (8-dimethoxysilyl-3-methyloctyl) prop-2-enoate?
The canonical SMILES for (8-dimethoxysilyl-3-methyloctyl) prop-2-enoate is C=CC(=O)OCCC(C)CCCCC[SiH](OC)OC.
What is the InChIKey of (8-dimethoxysilyl-3-methyloctyl) prop-2-enoate?
The InChIKey is OIPSUXKVORXNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-5-14(15)18-11-10-13(2)9-7-6-8-12-19(16-3)17-4/h5,13,19H,1,6-12H2,2-4H3.
What are the key properties of (8-dimethoxysilyl-3-methyloctyl) prop-2-enoate?
(8-dimethoxysilyl-3-methyloctyl) prop-2-enoate has a molecular weight of 288.46 g/mol, XLogP of 2.82, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-dimethoxysilyl-3-methyloctyl) prop-2-enoate is sourced from PubChem (CID 172781685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).