2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate

C11H18O6 — CID 87909374

IUPAC2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
SMILESC=CC(=O)OCCCO.C=CC(=O)OCCO
InChIInChI=1S/C6H10O3.C5H8O3/c1-2-6(8)9-5-3-4-7;1-2-5(7)8-4-3-6/h2,7H,1,3-5H2;2,6H,1,3-4H2
InChIKeyGNMGAVKSZFQCDD-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.19
Rot. Bonds7

About 2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate

2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate (PubChem CID 87909374) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
PubChem CID87909374
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Name2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
SMILESC=CC(=O)OCCCO.C=CC(=O)OCCO
InChIInChI=1S/C6H10O3.C5H8O3/c1-2-6(8)9-5-3-4-7;1-2-5(7)8-4-3-6/h2,7H,1,3-5H2;2,6H,1,3-4H2
InChIKeyGNMGAVKSZFQCDD-UHFFFAOYSA-N
XLogP-0.19
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
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

3-(3-hydroxypropoxy)propyl prop-2-enoate
CID 54397362
3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 59641461
10-hydroxydecyl prop-2-enoate
CID 14715958
11-hydroxyundecyl prop-2-enoate
CID 54223498
19-hydroxynonadecyl prop-2-enoate
CID 20625688
12-hydroxydodecyl prop-2-enoate
CID 19859974
but-1-ene;butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 173080740
3-hydroxypropyl prop-2-enoate;isocyanic acid
CID 172728608
calcium;hydride;4-hydroxybutyl prop-2-enoate
CID 175269190
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
2-aminoethanol;2-hydroxyethyl prop-2-enoate
CID 158127048
acetyl acetate;3-hydroxypropyl prop-2-enoate
CID 146356068

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate?
The IUPAC name of 2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate (CID 87909374) is 2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate?
The canonical SMILES for 2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate is C=CC(=O)OCCCO.C=CC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate?
The InChIKey is GNMGAVKSZFQCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C5H8O3/c1-2-6(8)9-5-3-4-7;1-2-5(7)8-4-3-6/h2,7H,1,3-5H2;2,6H,1,3-4H2.
What are the key properties of 2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate?
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate has a molecular weight of 246.26 g/mol, XLogP of -0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate is sourced from PubChem (CID 87909374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).