2-hydroxyethyl 2-methylprop-2-enoate;pentanedial

C11H18O5 — CID 56841985

IUPAC2-hydroxyethyl 2-methylprop-2-enoate;pentanedial
SMILESC=C(C)C(=O)OCCO.O=CCCCC=O
InChIInChI=1S/C6H10O3.C5H8O2/c1-5(2)6(8)9-4-3-7;6-4-2-1-3-5-7/h7H,1,3-4H2,2H3;4-5H,1-3H2
InChIKeyJXCDTORYGUGXIJ-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.65
Rot. Bonds7

About 2-hydroxyethyl 2-methylprop-2-enoate;pentanedial

2-hydroxyethyl 2-methylprop-2-enoate;pentanedial (PubChem CID 56841985) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylprop-2-enoate;pentanedial.

Molecular Properties

Compound Name2-hydroxyethyl 2-methylprop-2-enoate;pentanedial
PubChem CID56841985
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name2-hydroxyethyl 2-methylprop-2-enoate;pentanedial
SMILESC=C(C)C(=O)OCCO.O=CCCCC=O
InChIInChI=1S/C6H10O3.C5H8O2/c1-5(2)6(8)9-4-3-7;6-4-2-1-3-5-7/h7H,1,3-4H2,2H3;4-5H,1-3H2
InChIKeyJXCDTORYGUGXIJ-UHFFFAOYSA-N
XLogP0.65
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
CID 173395322
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
2-buta-1,3-dien-2-yloxyethanol;2-hydroxyethyl 2-methylprop-2-enoate
CID 163613282
2-hydroxyethyl 2-methylprop-2-enoate sulfate
CID 20566074
2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate
CID 175328029
2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
CID 22757411
2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol
CID 174925229
2-hydroxyethyl 2-methyl-4,8-dioxooct-2-enoate
CID 173185254

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;pentanedial?
The IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;pentanedial (CID 56841985) is 2-hydroxyethyl 2-methylprop-2-enoate;pentanedial.
What is the SMILES notation for 2-hydroxyethyl 2-methylprop-2-enoate;pentanedial?
The canonical SMILES for 2-hydroxyethyl 2-methylprop-2-enoate;pentanedial is C=C(C)C(=O)OCCO.O=CCCCC=O.
What is the InChIKey of 2-hydroxyethyl 2-methylprop-2-enoate;pentanedial?
The InChIKey is JXCDTORYGUGXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C5H8O2/c1-5(2)6(8)9-4-3-7;6-4-2-1-3-5-7/h7H,1,3-4H2,2H3;4-5H,1-3H2.
What are the key properties of 2-hydroxyethyl 2-methylprop-2-enoate;pentanedial?
2-hydroxyethyl 2-methylprop-2-enoate;pentanedial has a molecular weight of 230.26 g/mol, XLogP of 0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methylprop-2-enoate;pentanedial is sourced from PubChem (CID 56841985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).