2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)

C23H44O3 — CID 173070225

IUPAC2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
SMILESC=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC(=O)OCCO
InChIInChI=1S/C5H8O3.6C3H6/c1-2-5(7)8-4-3-6;6*1-3-2/h2,6H,1,3-4H2;6*3H,1H2,2H3
InChIKeyOGIDVGGPKJPUCF-UHFFFAOYSA-N
MW368.60 g/mol
LogP6.86
Rot. Bonds3

About 2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)

2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene) (PubChem CID 173070225) has the molecular formula C23H44O3 and a molecular weight of 368.60 g/mol. Its IUPAC name is 2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene).

Molecular Properties

Compound Name2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
PubChem CID173070225
Molecular FormulaC23H44O3
Molecular Weight368.60 g/mol
Exact Mass368.33
IUPAC Name2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
SMILESC=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC(=O)OCCO
InChIInChI=1S/C5H8O3.6C3H6/c1-2-5(7)8-4-3-6;6*1-3-2/h2,6H,1,3-4H2;6*3H,1H2,2H3
InChIKeyOGIDVGGPKJPUCF-UHFFFAOYSA-N
XLogP6.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.60
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-aminoethanol;2-hydroxyethyl prop-2-enoate
CID 158127048
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 sulfate
CID 20566072
2-hydroxyethyl prop-2-enoate;isocyanic acid
CID 88778139
ethyl acetate;2-hydroxyethyl prop-2-enoate
CID 161101194
2-hydroxyethyl prop-2-enoate;prop-2-enenitrile
CID 87740530
2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate
CID 159156853
bis(hex-1-ene);2-hydroxyethyl prop-2-enoate
CID 87914321
2-hydroxyethyl prop-2-enoate;3-hydroxyprop-2-enyl prop-2-enoate
CID 173020025
sodium;ethenesulfonate;2-hydroxyethyl prop-2-enoate
CID 159658486

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)?
The IUPAC name of 2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene) (CID 173070225) is 2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene).
What is the SMILES notation for 2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)?
The canonical SMILES for 2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene) is C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)?
The InChIKey is OGIDVGGPKJPUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.6C3H6/c1-2-5(7)8-4-3-6;6*1-3-2/h2,6H,1,3-4H2;6*3H,1H2,2H3.
What are the key properties of 2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)?
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene) has a molecular weight of 368.60 g/mol, XLogP of 6.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene) is sourced from PubChem (CID 173070225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).