2-octadec-9-enoxyethyl 2-methylprop-2-enoate

C24H44O3 — CID 90778770

IUPAC2-octadec-9-enoxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCCCCCCCC=CCCCCCCCC
InChIInChI=1S/C24H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-21-22-27-24(25)23(2)3/h11-12H,2,4-10,13-22H2,1,3H3
InChIKeyCTLXBLAMLDFUAS-UHFFFAOYSA-N
MW380.61 g/mol
LogP7.16
Rot. Bonds20

About 2-octadec-9-enoxyethyl 2-methylprop-2-enoate

2-octadec-9-enoxyethyl 2-methylprop-2-enoate (PubChem CID 90778770) has the molecular formula C24H44O3 and a molecular weight of 380.61 g/mol. Its IUPAC name is 2-octadec-9-enoxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-octadec-9-enoxyethyl 2-methylprop-2-enoate
PubChem CID90778770
Molecular FormulaC24H44O3
Molecular Weight380.61 g/mol
Exact Mass380.33
IUPAC Name2-octadec-9-enoxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCCCCCCCC=CCCCCCCCC
InChIInChI=1S/C24H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-21-22-27-24(25)23(2)3/h11-12H,2,4-10,13-22H2,1,3H3
InChIKeyCTLXBLAMLDFUAS-UHFFFAOYSA-N
XLogP7.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.61
LogP ≤ 57.16
H-Bond Donors ≤ 50
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

formaldehyde;henicosanedial;2-octadecoxyethyl 2-methylprop-2-enoate
CID 161226502
[(Z)-octadec-9-enyl] 2-methylprop-2-enoate
CID 6436390
2-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102117026
[(9Z,12Z)-octadeca-9,12-dienyl] 2-methylprop-2-enoate
CID 86733419
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904
5-pentoxypentyl 2-methylprop-2-enoate
CID 139797922
10-pentoxydecyl 2-methylprop-2-enoate
CID 139797940
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22247396
[(Z)-19-oxotetratriacont-9-enyl] 2-methylprop-2-enoate
CID 141330301
2-methylprop-2-enoic acid;2-octadecoxyethyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 88597701
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
octatetracontyl 2-methylprop-2-enoate
CID 141233444

Frequently Asked Questions

What is the IUPAC name of 2-octadec-9-enoxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-octadec-9-enoxyethyl 2-methylprop-2-enoate (CID 90778770) is 2-octadec-9-enoxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-octadec-9-enoxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-octadec-9-enoxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCCCCCCCC=CCCCCCCCC.
What is the InChIKey of 2-octadec-9-enoxyethyl 2-methylprop-2-enoate?
The InChIKey is CTLXBLAMLDFUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-21-22-27-24(25)23(2)3/h11-12H,2,4-10,13-22H2,1,3H3.
What are the key properties of 2-octadec-9-enoxyethyl 2-methylprop-2-enoate?
2-octadec-9-enoxyethyl 2-methylprop-2-enoate has a molecular weight of 380.61 g/mol, XLogP of 7.16, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octadec-9-enoxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 90778770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).