[1-(1-ethoxyethoxymethyl)cyclodecyl]methyl 2-methylprop-2-enoate

C20H36O4 — CID 19960697

IUPAC[1-(1-ethoxyethoxymethyl)cyclodecyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1(COC(C)OCC)CCCCCCCCC1
InChIInChI=1S/C20H36O4/c1-5-22-18(4)23-15-20(16-24-19(21)17(2)3)13-11-9-7-6-8-10-12-14-20/h18H,2,5-16H2,1,3-4H3
InChIKeyFMQQXTMNMGMTMU-UHFFFAOYSA-N
MW340.50 g/mol
LogP5.02
Rot. Bonds8

About [1-(1-ethoxyethoxymethyl)cyclodecyl]methyl 2-methylprop-2-enoate

[1-(1-ethoxyethoxymethyl)cyclodecyl]methyl 2-methylprop-2-enoate (PubChem CID 19960697) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is [1-(1-ethoxyethoxymethyl)cyclodecyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(1-ethoxyethoxymethyl)cyclodecyl]methyl 2-methylprop-2-enoate
PubChem CID19960697
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Name[1-(1-ethoxyethoxymethyl)cyclodecyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1(COC(C)OCC)CCCCCCCCC1
InChIInChI=1S/C20H36O4/c1-5-22-18(4)23-15-20(16-24-19(21)17(2)3)13-11-9-7-6-8-10-12-14-20/h18H,2,5-16H2,1,3-4H3
InChIKeyFMQQXTMNMGMTMU-UHFFFAOYSA-N
XLogP5.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.50
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(1-ethoxyethoxymethyl)cyclodecyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [1-(1-ethoxyethoxymethyl)cyclodecyl]methyl 2-methylprop-2-enoate (CID 19960697) is [1-(1-ethoxyethoxymethyl)cyclodecyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [1-(1-ethoxyethoxymethyl)cyclodecyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [1-(1-ethoxyethoxymethyl)cyclodecyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1(COC(C)OCC)CCCCCCCCC1.
What is the InChIKey of [1-(1-ethoxyethoxymethyl)cyclodecyl]methyl 2-methylprop-2-enoate?
The InChIKey is FMQQXTMNMGMTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O4/c1-5-22-18(4)23-15-20(16-24-19(21)17(2)3)13-11-9-7-6-8-10-12-14-20/h18H,2,5-16H2,1,3-4H3.
What are the key properties of [1-(1-ethoxyethoxymethyl)cyclodecyl]methyl 2-methylprop-2-enoate?
[1-(1-ethoxyethoxymethyl)cyclodecyl]methyl 2-methylprop-2-enoate has a molecular weight of 340.50 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethoxyethoxymethyl)cyclodecyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 19960697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).