4-O-(2-hydroxyethyl) 1-O-prop-2-enoyl 2-methylbutanedioate

C10H14O6 — CID 174419745

IUPAC4-O-(2-hydroxyethyl) 1-O-prop-2-enoyl 2-methylbutanedioate
SMILESC=CC(=O)OC(=O)C(C)CC(=O)OCCO
InChIInChI=1S/C10H14O6/c1-3-8(12)16-10(14)7(2)6-9(13)15-5-4-11/h3,7,11H,1,4-6H2,2H3
InChIKeyDDJBKLTZEBJFFC-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.20
Rot. Bonds6

About 4-O-(2-hydroxyethyl) 1-O-prop-2-enoyl 2-methylbutanedioate

4-O-(2-hydroxyethyl) 1-O-prop-2-enoyl 2-methylbutanedioate (PubChem CID 174419745) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-O-(2-hydroxyethyl) 1-O-prop-2-enoyl 2-methylbutanedioate.

Molecular Properties

Compound Name4-O-(2-hydroxyethyl) 1-O-prop-2-enoyl 2-methylbutanedioate
PubChem CID174419745
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name4-O-(2-hydroxyethyl) 1-O-prop-2-enoyl 2-methylbutanedioate
SMILESC=CC(=O)OC(=O)C(C)CC(=O)OCCO
InChIInChI=1S/C10H14O6/c1-3-8(12)16-10(14)7(2)6-9(13)15-5-4-11/h3,7,11H,1,4-6H2,2H3
InChIKeyDDJBKLTZEBJFFC-UHFFFAOYSA-N
XLogP-0.20
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
2-hydroxyethyl 4-methyl-5-oxohept-6-enoate
CID 174647647
1-O-(2-hydroxyethyl) 4-O-prop-2-enoyl (Z)-2-methylbut-2-enedioate
CID 174472902
2-aminoethanol;2-hydroxyethyl prop-2-enoate
CID 158127048
prop-2-enoyl 2-methylbut-3-enoate
CID 174358107
ethoxyethane;2-hydroxyethyl prop-2-enoate
CID 87338158
but-2-enedioic acid;2-hydroxyethyl prop-2-enoate
CID 173025199
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol
CID 159522271
ethene;2-hydroxy-4-(2-hydroxyethoxy)-4-oxobutanoic acid;2-propan-2-yloxypropane
CID 173084371
2-hydroxyethyl prop-2-enoate sulfate
CID 20566072
2-hydroxyethyl prop-2-enoate;isocyanic acid
CID 88778139

Frequently Asked Questions

What is the IUPAC name of 4-O-(2-hydroxyethyl) 1-O-prop-2-enoyl 2-methylbutanedioate?
The IUPAC name of 4-O-(2-hydroxyethyl) 1-O-prop-2-enoyl 2-methylbutanedioate (CID 174419745) is 4-O-(2-hydroxyethyl) 1-O-prop-2-enoyl 2-methylbutanedioate.
What is the SMILES notation for 4-O-(2-hydroxyethyl) 1-O-prop-2-enoyl 2-methylbutanedioate?
The canonical SMILES for 4-O-(2-hydroxyethyl) 1-O-prop-2-enoyl 2-methylbutanedioate is C=CC(=O)OC(=O)C(C)CC(=O)OCCO.
What is the InChIKey of 4-O-(2-hydroxyethyl) 1-O-prop-2-enoyl 2-methylbutanedioate?
The InChIKey is DDJBKLTZEBJFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-3-8(12)16-10(14)7(2)6-9(13)15-5-4-11/h3,7,11H,1,4-6H2,2H3.
What are the key properties of 4-O-(2-hydroxyethyl) 1-O-prop-2-enoyl 2-methylbutanedioate?
4-O-(2-hydroxyethyl) 1-O-prop-2-enoyl 2-methylbutanedioate has a molecular weight of 230.22 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-(2-hydroxyethyl) 1-O-prop-2-enoyl 2-methylbutanedioate is sourced from PubChem (CID 174419745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).