3-[3-methyl-3-(2-prop-2-enoyloxyethoxy)butoxy]butyl prop-2-enoate

C17H28O6 — CID 89231934

IUPAC3-[3-methyl-3-(2-prop-2-enoyloxyethoxy)butoxy]butyl prop-2-enoate
SMILESC=CC(=O)OCCOC(C)(C)CCOC(C)CCOC(=O)C=C
InChIInChI=1S/C17H28O6/c1-6-15(18)21-10-8-14(3)20-11-9-17(4,5)23-13-12-22-16(19)7-2/h6-7,14H,1-2,8-13H2,3-5H3
InChIKeyLEUAHGBNGVYLMM-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.43
Rot. Bonds13

About 3-[3-methyl-3-(2-prop-2-enoyloxyethoxy)butoxy]butyl prop-2-enoate

3-[3-methyl-3-(2-prop-2-enoyloxyethoxy)butoxy]butyl prop-2-enoate (PubChem CID 89231934) has the molecular formula C17H28O6 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[3-methyl-3-(2-prop-2-enoyloxyethoxy)butoxy]butyl prop-2-enoate.

Molecular Properties

Compound Name3-[3-methyl-3-(2-prop-2-enoyloxyethoxy)butoxy]butyl prop-2-enoate
PubChem CID89231934
Molecular FormulaC17H28O6
Molecular Weight328.41 g/mol
Exact Mass328.19
IUPAC Name3-[3-methyl-3-(2-prop-2-enoyloxyethoxy)butoxy]butyl prop-2-enoate
SMILESC=CC(=O)OCCOC(C)(C)CCOC(C)CCOC(=O)C=C
InChIInChI=1S/C17H28O6/c1-6-15(18)21-10-8-14(3)20-11-9-17(4,5)23-13-12-22-16(19)7-2/h6-7,14H,1-2,8-13H2,3-5H3
InChIKeyLEUAHGBNGVYLMM-UHFFFAOYSA-N
XLogP2.43
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-prop-2-enoyloxybutoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl prop-2-enoate
CID 102116747
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
3,4,4-trimethylpentyl prop-2-enoate
CID 151450744
(3-methyl-3-prop-2-enoyloxybutyl) prop-2-enoate
CID 19428987
4-(3-methyl-3-propoxybutoxy)pentanamide
CID 164574576
2-(5-prop-2-enoyloxypentan-2-yloxy)ethyl 2-methylbutanoate
CID 58040725
ethane;4-(3-methyl-3-propoxybutoxy)pentanamide
CID 164574575
2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate
CID 135130322
3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate
CID 162239045
bis(prop-1-ene);2-[2-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 118062251
2-[2-[2-(2-prop-2-enoyloxyethoxy)propoxy]propoxy]ethyl prop-2-enoate
CID 154586565
2-prop-2-enoyloxyethyl 2,4,4-trimethylpentanoate
CID 134267929

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-3-(2-prop-2-enoyloxyethoxy)butoxy]butyl prop-2-enoate?
The IUPAC name of 3-[3-methyl-3-(2-prop-2-enoyloxyethoxy)butoxy]butyl prop-2-enoate (CID 89231934) is 3-[3-methyl-3-(2-prop-2-enoyloxyethoxy)butoxy]butyl prop-2-enoate.
What is the SMILES notation for 3-[3-methyl-3-(2-prop-2-enoyloxyethoxy)butoxy]butyl prop-2-enoate?
The canonical SMILES for 3-[3-methyl-3-(2-prop-2-enoyloxyethoxy)butoxy]butyl prop-2-enoate is C=CC(=O)OCCOC(C)(C)CCOC(C)CCOC(=O)C=C.
What is the InChIKey of 3-[3-methyl-3-(2-prop-2-enoyloxyethoxy)butoxy]butyl prop-2-enoate?
The InChIKey is LEUAHGBNGVYLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O6/c1-6-15(18)21-10-8-14(3)20-11-9-17(4,5)23-13-12-22-16(19)7-2/h6-7,14H,1-2,8-13H2,3-5H3.
What are the key properties of 3-[3-methyl-3-(2-prop-2-enoyloxyethoxy)butoxy]butyl prop-2-enoate?
3-[3-methyl-3-(2-prop-2-enoyloxyethoxy)butoxy]butyl prop-2-enoate has a molecular weight of 328.41 g/mol, XLogP of 2.43, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-3-(2-prop-2-enoyloxyethoxy)butoxy]butyl prop-2-enoate is sourced from PubChem (CID 89231934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).