2-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexoxy]ethyl 2-methylprop-2-enoate

C18H30O6 — CID 19775897

IUPAC2-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCCCCCOCCOC(=O)C(=C)C
InChIInChI=1S/C18H30O6/c1-15(2)17(19)23-13-11-21-9-7-5-6-8-10-22-12-14-24-18(20)16(3)4/h1,3,5-14H2,2,4H3
InChIKeyBTTZMHCCCTXYOK-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.82
Rot. Bonds15

About 2-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexoxy]ethyl 2-methylprop-2-enoate

2-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexoxy]ethyl 2-methylprop-2-enoate (PubChem CID 19775897) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is 2-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexoxy]ethyl 2-methylprop-2-enoate
PubChem CID19775897
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Name2-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCCCCCOCCOC(=O)C(=C)C
InChIInChI=1S/C18H30O6/c1-15(2)17(19)23-13-11-21-9-7-5-6-8-10-22-12-14-24-18(20)16(3)4/h1,3,5-14H2,2,4H3
InChIKeyBTTZMHCCCTXYOK-UHFFFAOYSA-N
XLogP2.82
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexoxy]ethyl 2-methylprop-2-enoate (CID 19775897) is 2-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCCCCCOCCOC(=O)C(=C)C.
What is the InChIKey of 2-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is BTTZMHCCCTXYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O6/c1-15(2)17(19)23-13-11-21-9-7-5-6-8-10-22-12-14-24-18(20)16(3)4/h1,3,5-14H2,2,4H3.
What are the key properties of 2-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexoxy]ethyl 2-methylprop-2-enoate?
2-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 342.43 g/mol, XLogP of 2.82, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 19775897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).