ethene;2-hydroxyethyl hexadecanoate

C20H40O3 — CID 87221064

IUPACethene;2-hydroxyethyl hexadecanoate
SMILESC=C.CCCCCCCCCCCCCCCC(=O)OCCO
InChIInChI=1S/C18H36O3.C2H4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19;1-2/h19H,2-17H2,1H3;1-2H2
InChIKeyDCGXNYCMRNZSAT-UHFFFAOYSA-N
MW328.54 g/mol
LogP5.81
Rot. Bonds16

About ethene;2-hydroxyethyl hexadecanoate

ethene;2-hydroxyethyl hexadecanoate (PubChem CID 87221064) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is ethene;2-hydroxyethyl hexadecanoate.

Molecular Properties

Compound Nameethene;2-hydroxyethyl hexadecanoate
PubChem CID87221064
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Nameethene;2-hydroxyethyl hexadecanoate
SMILESC=C.CCCCCCCCCCCCCCCC(=O)OCCO
InChIInChI=1S/C18H36O3.C2H4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19;1-2/h19H,2-17H2,1H3;1-2H2
InChIKeyDCGXNYCMRNZSAT-UHFFFAOYSA-N
XLogP5.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 55.81
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'}

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Related Compounds

sodium;hydride;2-hydroxyethyl dodecanoate
CID 173434676
ethene;2-hydroxyethyl (Z)-octadec-9-enoate
CID 173424780
ethoxyethane;2-hydroxyethyl dodecanoate
CID 87130982
ethoxyethane;2-hydroxyethyl docosanoate
CID 121301688
1-O-butyl 6-O-(2-hydroxyethyl) hexanedioate
CID 87069047
ethane-1,2-diol;propyl octadecanoate
CID 87479973
ethanol;2-octadecanoyloxyethyl octadecanoate
CID 161101673
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
bis(2-hydroxyethyl) heptanedioate
CID 58519890
bis(2-hydroxyethyl) decanedioate
CID 14094566
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139595421

Frequently Asked Questions

What is the IUPAC name of ethene;2-hydroxyethyl hexadecanoate?
The IUPAC name of ethene;2-hydroxyethyl hexadecanoate (CID 87221064) is ethene;2-hydroxyethyl hexadecanoate.
What is the SMILES notation for ethene;2-hydroxyethyl hexadecanoate?
The canonical SMILES for ethene;2-hydroxyethyl hexadecanoate is C=C.CCCCCCCCCCCCCCCC(=O)OCCO.
What is the InChIKey of ethene;2-hydroxyethyl hexadecanoate?
The InChIKey is DCGXNYCMRNZSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3.C2H4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19;1-2/h19H,2-17H2,1H3;1-2H2.
What are the key properties of ethene;2-hydroxyethyl hexadecanoate?
ethene;2-hydroxyethyl hexadecanoate has a molecular weight of 328.54 g/mol, XLogP of 5.81, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-hydroxyethyl hexadecanoate is sourced from PubChem (CID 87221064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).