[2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate

C15H24O7 — CID 129178860

IUPAC[2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate
SMILESC=CC(=O)OCOCC(CC)(COC)COCOC(=O)C=C
InChIInChI=1S/C15H24O7/c1-5-13(16)21-11-19-9-15(7-3,8-18-4)10-20-12-22-14(17)6-2/h5-6H,1-2,7-12H2,3-4H3
InChIKeyQHOHCEJWVONTHL-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.44
Rot. Bonds13

About [2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate

[2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate (PubChem CID 129178860) has the molecular formula C15H24O7 and a molecular weight of 316.35 g/mol. Its IUPAC name is [2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate.

Molecular Properties

Compound Name[2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate
PubChem CID129178860
Molecular FormulaC15H24O7
Molecular Weight316.35 g/mol
Exact Mass316.15
IUPAC Name[2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate
SMILESC=CC(=O)OCOCC(CC)(COC)COCOC(=O)C=C
InChIInChI=1S/C15H24O7/c1-5-13(16)21-11-19-9-15(7-3,8-18-4)10-20-12-22-14(17)6-2/h5-6H,1-2,7-12H2,3-4H3
InChIKeyQHOHCEJWVONTHL-UHFFFAOYSA-N
XLogP1.44
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-[2-[2-[2-[2-[2,2-bis[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 173016029
[2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate
CID 20746570
2-[2,2-bis(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate;2-[2-(2-hydroxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate
CID 158223909
[2-[[2-(methoxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 146342682
2,2-bis(prop-2-enoyloxymethyl)butoxymethyl 2-methylidene-4-(prop-2-enoyloxymethyl)hexanoate
CID 155665786
2-[2,2-bis(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl butanoate
CID 162466321
(2-amino-2-ethylbutyl) prop-2-enoate
CID 57112910
2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;methane;4-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 161238542
bis[2,2-bis(prop-2-enoyloxymethyl)butyl] (E)-hex-3-enedioate
CID 170682315
2,2-bis(prop-2-enoyloxymethyl)butyl but-3-enoate
CID 166944180
2,2-bis(prop-2-enoyloxymethyl)butyl 2,2-dimethyl-3-prop-2-enoyloxypropanoate
CID 90842874
2-[2-(2-hydroxypropoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate
CID 122419849

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate?
The IUPAC name of [2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate (CID 129178860) is [2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate.
What is the SMILES notation for [2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate?
The canonical SMILES for [2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate is C=CC(=O)OCOCC(CC)(COC)COCOC(=O)C=C.
What is the InChIKey of [2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate?
The InChIKey is QHOHCEJWVONTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O7/c1-5-13(16)21-11-19-9-15(7-3,8-18-4)10-20-12-22-14(17)6-2/h5-6H,1-2,7-12H2,3-4H3.
What are the key properties of [2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate?
[2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate has a molecular weight of 316.35 g/mol, XLogP of 1.44, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate is sourced from PubChem (CID 129178860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).