2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate

C11H18O5 — CID 175328029

IUPAC2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate
SMILESC=C(C)C(=O)OCCO.C=CCOC(C)=O
InChIInChI=1S/C6H10O3.C5H8O2/c1-5(2)6(8)9-4-3-7;1-3-4-7-5(2)6/h7H,1,3-4H2,2H3;3H,1,4H2,2H3
InChIKeyIQARDSCKDWQGQC-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.83
Rot. Bonds5

About 2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate

2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate (PubChem CID 175328029) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate.

Molecular Properties

Compound Name2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate
PubChem CID175328029
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate
SMILESC=C(C)C(=O)OCCO.C=CCOC(C)=O
InChIInChI=1S/C6H10O3.C5H8O2/c1-5(2)6(8)9-4-3-7;1-3-4-7-5(2)6/h7H,1,3-4H2,2H3;3H,1,4H2,2H3
InChIKeyIQARDSCKDWQGQC-UHFFFAOYSA-N
XLogP0.83
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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
2-buta-1,3-dien-2-yloxyethanol;2-hydroxyethyl 2-methylprop-2-enoate
CID 163613282
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
2-prop-2-enoxycarbonyloxyethyl 2-methylprop-2-enoate
CID 88775356
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625
2-hydroxyethyl 2-methylprop-2-enoate sulfate
CID 20566074
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089
2-hydroxyethyl 2-methylprop-2-enoate;pentanedial
CID 56841985
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate?
The IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate (CID 175328029) is 2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate.
What is the SMILES notation for 2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate?
The canonical SMILES for 2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate is C=C(C)C(=O)OCCO.C=CCOC(C)=O.
What is the InChIKey of 2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate?
The InChIKey is IQARDSCKDWQGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C5H8O2/c1-5(2)6(8)9-4-3-7;1-3-4-7-5(2)6/h7H,1,3-4H2,2H3;3H,1,4H2,2H3.
What are the key properties of 2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate?
2-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate has a molecular weight of 230.26 g/mol, XLogP of 0.83, 5 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;prop-2-enyl acetate is sourced from PubChem (CID 175328029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).