(3-methoxysilyl-4-methyl-3-propan-2-ylpentyl) 2-methylprop-2-enoate

C14H28O3Si — CID 154093182

IUPAC(3-methoxysilyl-4-methyl-3-propan-2-ylpentyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC([SiH2]OC)(C(C)C)C(C)C
InChIInChI=1S/C14H28O3Si/c1-10(2)13(15)17-9-8-14(11(3)4,12(5)6)18-16-7/h11-12H,1,8-9,18H2,2-7H3
InChIKeyIERAIUCSHVFXJR-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.70
Rot. Bonds8

About (3-methoxysilyl-4-methyl-3-propan-2-ylpentyl) 2-methylprop-2-enoate

(3-methoxysilyl-4-methyl-3-propan-2-ylpentyl) 2-methylprop-2-enoate (PubChem CID 154093182) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is (3-methoxysilyl-4-methyl-3-propan-2-ylpentyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-methoxysilyl-4-methyl-3-propan-2-ylpentyl) 2-methylprop-2-enoate
PubChem CID154093182
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name(3-methoxysilyl-4-methyl-3-propan-2-ylpentyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC([SiH2]OC)(C(C)C)C(C)C
InChIInChI=1S/C14H28O3Si/c1-10(2)13(15)17-9-8-14(11(3)4,12(5)6)18-16-7/h11-12H,1,8-9,18H2,2-7H3
InChIKeyIERAIUCSHVFXJR-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3,3-dimethoxy-3-methylsilylpropyl) 2-methylprop-2-enoate
CID 123567803
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
[3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 122518361
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
3-propan-2-yloxypropyl 2-methylprop-2-enoate
CID 23399612
3,3-dimethylpentyl 2-methylprop-2-enoate
CID 20670454
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
1-O-[2-(2-methylprop-2-enoyloxy)ethyl] 2-O-propan-2-yl oxalate
CID 166723292
9-propan-2-yloxynonyl 2-methylprop-2-enoate
CID 58451766
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate
CID 131728346
3,3-dimethylhexyl 2-methylprop-2-enoate
CID 59157270
bis(trimethyl-[2-methyl-4-(2-methylprop-2-enoyloxy)butan-2-yl]azanium) dichloride
CID 174680654

Frequently Asked Questions

What is the IUPAC name of (3-methoxysilyl-4-methyl-3-propan-2-ylpentyl) 2-methylprop-2-enoate?
The IUPAC name of (3-methoxysilyl-4-methyl-3-propan-2-ylpentyl) 2-methylprop-2-enoate (CID 154093182) is (3-methoxysilyl-4-methyl-3-propan-2-ylpentyl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-methoxysilyl-4-methyl-3-propan-2-ylpentyl) 2-methylprop-2-enoate?
The canonical SMILES for (3-methoxysilyl-4-methyl-3-propan-2-ylpentyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCCC([SiH2]OC)(C(C)C)C(C)C.
What is the InChIKey of (3-methoxysilyl-4-methyl-3-propan-2-ylpentyl) 2-methylprop-2-enoate?
The InChIKey is IERAIUCSHVFXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-10(2)13(15)17-9-8-14(11(3)4,12(5)6)18-16-7/h11-12H,1,8-9,18H2,2-7H3.
What are the key properties of (3-methoxysilyl-4-methyl-3-propan-2-ylpentyl) 2-methylprop-2-enoate?
(3-methoxysilyl-4-methyl-3-propan-2-ylpentyl) 2-methylprop-2-enoate has a molecular weight of 272.46 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxysilyl-4-methyl-3-propan-2-ylpentyl) 2-methylprop-2-enoate is sourced from PubChem (CID 154093182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).