2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)

C30H58O3 — CID 173395322

IUPAC2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
SMILESC=C(C)C(=O)OCCO.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC
InChIInChI=1S/C6H10O3.8C3H6/c1-5(2)6(8)9-4-3-7;8*1-3-2/h7H,1,3-4H2,2H3;8*3H,1H2,2H3
InChIKeyCLEYNVKVEGWFKO-UHFFFAOYSA-N
MW466.79 g/mol
LogP9.64
Rot. Bonds3

About 2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)

2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene) (PubChem CID 173395322) has the molecular formula C30H58O3 and a molecular weight of 466.79 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene).

Molecular Properties

Compound Name2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
PubChem CID173395322
Molecular FormulaC30H58O3
Molecular Weight466.79 g/mol
Exact Mass466.44
IUPAC Name2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
SMILESC=C(C)C(=O)OCCO.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC
InChIInChI=1S/C6H10O3.8C3H6/c1-5(2)6(8)9-4-3-7;8*1-3-2/h7H,1,3-4H2,2H3;8*3H,1H2,2H3
InChIKeyCLEYNVKVEGWFKO-UHFFFAOYSA-N
XLogP9.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.79
LogP ≤ 59.64
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-(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
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
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-hydroxyethyl 2-methylprop-2-enoate;prop-2-enyl acetate
CID 175328029
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
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-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol
CID 174925229

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)?
The IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene) (CID 173395322) is 2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene).
What is the SMILES notation for 2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)?
The canonical SMILES for 2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene) is C=C(C)C(=O)OCCO.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.
What is the InChIKey of 2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)?
The InChIKey is CLEYNVKVEGWFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.8C3H6/c1-5(2)6(8)9-4-3-7;8*1-3-2/h7H,1,3-4H2,2H3;8*3H,1H2,2H3.
What are the key properties of 2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)?
2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene) has a molecular weight of 466.79 g/mol, XLogP of 9.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene) is sourced from PubChem (CID 173395322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).