bis(hex-1-ene);2-hydroxyethyl prop-2-enoate

C17H32O3 — CID 87914321

IUPACbis(hex-1-ene);2-hydroxyethyl prop-2-enoate
SMILESC=CC(=O)OCCO.C=CCCCC.C=CCCCC
InChIInChI=1S/2C6H12.C5H8O3/c2*1-3-5-6-4-2;1-2-5(7)8-4-3-6/h2*3H,1,4-6H2,2H3;2,6H,1,3-4H2
InChIKeyDKGVTKWEBXLZHK-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.43
Rot. Bonds9

About bis(hex-1-ene);2-hydroxyethyl prop-2-enoate

bis(hex-1-ene);2-hydroxyethyl prop-2-enoate (PubChem CID 87914321) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is bis(hex-1-ene);2-hydroxyethyl prop-2-enoate.

Molecular Properties

Compound Namebis(hex-1-ene);2-hydroxyethyl prop-2-enoate
PubChem CID87914321
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Namebis(hex-1-ene);2-hydroxyethyl prop-2-enoate
SMILESC=CC(=O)OCCO.C=CCCCC.C=CCCCC
InChIInChI=1S/2C6H12.C5H8O3/c2*1-3-5-6-4-2;1-2-5(7)8-4-3-6/h2*3H,1,4-6H2,2H3;2,6H,1,3-4H2
InChIKeyDKGVTKWEBXLZHK-UHFFFAOYSA-N
XLogP4.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

but-1-ene;butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 173080740
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
butyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methoxymethyl prop-2-enoate
CID 118092284
ethane-1,2-diol;hexyl prop-2-enoate
CID 87769837
ethoxyethane;2-hydroxyethyl prop-2-enoate
CID 87338158
butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 23051015
butyl prop-2-enoate;ethenyl acetate;2-hydroxyethyl prop-2-enoate
CID 158722380
but-2-enedioic acid;2-hydroxyethyl prop-2-enoate
CID 173025199
2-hydroxyethyl prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 87909374
decan-1-ol;decyl prop-2-enoate
CID 158001479
[(Z)-dodec-7-enyl] prop-2-enoate
CID 171776211
decyl prop-2-enoate
CID 162172023

Frequently Asked Questions

What is the IUPAC name of bis(hex-1-ene);2-hydroxyethyl prop-2-enoate?
The IUPAC name of bis(hex-1-ene);2-hydroxyethyl prop-2-enoate (CID 87914321) is bis(hex-1-ene);2-hydroxyethyl prop-2-enoate.
What is the SMILES notation for bis(hex-1-ene);2-hydroxyethyl prop-2-enoate?
The canonical SMILES for bis(hex-1-ene);2-hydroxyethyl prop-2-enoate is C=CC(=O)OCCO.C=CCCCC.C=CCCCC.
What is the InChIKey of bis(hex-1-ene);2-hydroxyethyl prop-2-enoate?
The InChIKey is DKGVTKWEBXLZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12.C5H8O3/c2*1-3-5-6-4-2;1-2-5(7)8-4-3-6/h2*3H,1,4-6H2,2H3;2,6H,1,3-4H2.
What are the key properties of bis(hex-1-ene);2-hydroxyethyl prop-2-enoate?
bis(hex-1-ene);2-hydroxyethyl prop-2-enoate has a molecular weight of 284.44 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hex-1-ene);2-hydroxyethyl prop-2-enoate is sourced from PubChem (CID 87914321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).