2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate

C30H48O14 — CID 159875860

IUPAC2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=CC(=O)C(COCCOCCOCCOC(=O)C(=C)C)(OC(=O)C(=C)C)C(=O)C=C.OCCOCCOCCOCCO
InChIInChI=1S/C22H30O9.C8H18O5/c1-7-18(23)22(19(24)8-2,31-21(26)17(5)6)15-29-12-11-27-9-10-28-13-14-30-20(25)16(3)4;9-1-3-11-5-7-13-8-6-12-4-2-10/h7-8H,1-3,5,9-15H2,4,6H3;9-10H,1-8H2
InChIKeyNSWYOPAFMZTCDO-UHFFFAOYSA-N
MW632.70 g/mol
LogP0.54
Rot. Bonds28

About 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 159875860) has the molecular formula C30H48O14 and a molecular weight of 632.70 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID159875860
Molecular FormulaC30H48O14
Molecular Weight632.70 g/mol
Exact Mass632.30
IUPAC Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=CC(=O)C(COCCOCCOCCOC(=O)C(=C)C)(OC(=O)C(=C)C)C(=O)C=C.OCCOCCOCCOCCO
InChIInChI=1S/C22H30O9.C8H18O5/c1-7-18(23)22(19(24)8-2,31-21(26)17(5)6)15-29-12-11-27-9-10-28-13-14-30-20(25)16(3)4;9-1-3-11-5-7-13-8-6-12-4-2-10/h7-8H,1-3,5,9-15H2,4,6H3;9-10H,1-8H2
InChIKeyNSWYOPAFMZTCDO-UHFFFAOYSA-N
XLogP0.54
TPSA182.58 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds28
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.70
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethane-1,2-diol;[5-(2-methylprop-2-enoyloxy)-3,6-dioxoocta-1,7-dien-4-yl] 2-methylprop-2-enoate
CID 157071415
2-[2-(2-Hydroxyethoxy)ethoxy]ethanol;[5-methyl-3-(2-methylprop-2-enoyl)-3-(2-methylprop-2-enoyloxy)-4-oxohex-5-en-2-yl] 2-methylprop-2-enoate
CID 157757420
2-Methoxyethanol;(2-methoxy-3-oxopent-4-enyl) 2-methylprop-2-enoate
CID 159788085
2-(2-Hydroxypropoxy)propan-1-ol;(4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-en-2-yl) prop-2-enoate
CID 160980894
Butane-1,4-diol;2-(3-oxo-2-prop-2-enoyl-2-prop-2-enoyloxypent-4-enoxy)ethyl prop-2-enoate
CID 161125438
Ethane-1,2-diol;2-(3-oxo-2-prop-2-enoyl-2-prop-2-enoyloxypent-4-enoxy)ethyl prop-2-enoate
CID 161280630
Butane-1,3-diol;(4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-en-2-yl) prop-2-enoate
CID 161612112
2-(3-Oxo-2-prop-2-enoyl-2-prop-2-enoyloxypent-4-enoxy)ethyl prop-2-enoate
CID 157178853
2-[2-[2-[2-(2-Methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 159875861
(4-Oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-en-2-yl) prop-2-enoate
CID 160980895

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate (CID 159875860) is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate is C=CC(=O)C(COCCOCCOCCOC(=O)C(=C)C)(OC(=O)C(=C)C)C(=O)C=C.OCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is NSWYOPAFMZTCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O9.C8H18O5/c1-7-18(23)22(19(24)8-2,31-21(26)17(5)6)15-29-12-11-27-9-10-28-13-14-30-20(25)16(3)4;9-1-3-11-5-7-13-8-6-12-4-2-10/h7-8H,1-3,5,9-15H2,4,6H3;9-10H,1-8H2.
What are the key properties of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 632.70 g/mol, XLogP of 0.54, 28 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)-3-oxo-2-prop-2-enoylpent-4-enoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 159875860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).