2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate

C15H26O6 — CID 88684060

IUPAC2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate
SMILESC=CC(=O)OCC(C)O.C=CC(=O)OCCOCCCC
InChIInChI=1S/C9H16O3.C6H10O3/c1-3-5-6-11-7-8-12-9(10)4-2;1-3-6(8)9-4-5(2)7/h4H,2-3,5-8H2,1H3;3,5,7H,1,4H2,2H3
InChIKeySHDFVOMVLNVAAV-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.63
Rot. Bonds10

About 2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate

2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate (PubChem CID 88684060) has the molecular formula C15H26O6 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate.

Molecular Properties

Compound Name2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate
PubChem CID88684060
Molecular FormulaC15H26O6
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC Name2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate
SMILESC=CC(=O)OCC(C)O.C=CC(=O)OCCOCCCC
InChIInChI=1S/C9H16O3.C6H10O3/c1-3-5-6-11-7-8-12-9(10)4-2;1-3-6(8)9-4-5(2)7/h4H,2-3,5-8H2,1H3;3,5,7H,1,4H2,2H3
InChIKeySHDFVOMVLNVAAV-UHFFFAOYSA-N
XLogP1.63
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
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

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 11083788
2-docosoxyethyl prop-2-enoate
CID 87118947
butyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 172788583
2-[2-(2-hydroxypropoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate
CID 122419849
5-hexoxypentyl prop-2-enoate
CID 141336215
2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate
CID 174792741
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
1-butoxybutane;2-hydroxypropyl propanoate
CID 87504806
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;2-(2-hydroxypropoxy)propan-1-ol
CID 22918006
2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate;2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl prop-2-enoate;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate;prop-2-enoyloxymethyl prop-2-enoate;3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate;3-[2-(3-prop-2-enoyloxypropoxy)ethoxy]propyl prop-2-enoate;2-prop-2-enoyloxypropyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate
CID 164994221
2-(2-hydroperoxypropoxy)ethyl prop-2-enoate
CID 118433563
2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
CID 87645006

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate?
The IUPAC name of 2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate (CID 88684060) is 2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate.
What is the SMILES notation for 2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate?
The canonical SMILES for 2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate is C=CC(=O)OCC(C)O.C=CC(=O)OCCOCCCC.
What is the InChIKey of 2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate?
The InChIKey is SHDFVOMVLNVAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3.C6H10O3/c1-3-5-6-11-7-8-12-9(10)4-2;1-3-6(8)9-4-5(2)7/h4H,2-3,5-8H2,1H3;3,5,7H,1,4H2,2H3.
What are the key properties of 2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate?
2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate has a molecular weight of 302.37 g/mol, XLogP of 1.63, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate is sourced from PubChem (CID 88684060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).