[2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate

C18H30O4 — CID 174553276

IUPAC[2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(COC(=O)C(=C)C)CC(C)(C)CC
InChIInChI=1S/C18H30O4/c1-9-17(6,7)10-18(8,11-21-15(19)13(2)3)12-22-16(20)14(4)5/h2,4,9-12H2,1,3,5-8H3
InChIKeyAOTAYTQHPMRNON-UHFFFAOYSA-N
MW310.43 g/mol
LogP4.06
Rot. Bonds9

About [2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate

[2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate (PubChem CID 174553276) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is [2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate
PubChem CID174553276
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name[2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(COC(=O)C(=C)C)CC(C)(C)CC
InChIInChI=1S/C18H30O4/c1-9-17(6,7)10-18(8,11-21-15(19)13(2)3)12-22-16(20)14(4)5/h2,4,9-12H2,1,3,5-8H3
InChIKeyAOTAYTQHPMRNON-UHFFFAOYSA-N
XLogP4.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

[4-[[[2-ethyl-2,4-dimethyl-4-(2-methylprop-2-enoyloxymethyl)hexyl]carbamoylamino]methyl]-2,2,4-trimethylhexyl] 2-methylprop-2-enoate
CID 144771179
3,3-dimethylpentyl 2-methylprop-2-enoate
CID 20670454
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
[2,2-dimethyl-3-[2-methyl-2-(2-methylprop-2-enoyloxymethyl)pentoxy]propyl] 2-methylprop-2-enoate
CID 129094110
2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 174897902
[2-[[hydroxy-[2-methyl-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propoxy]phosphoryl]oxymethyl]-2-methyl-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 87503837
bis[2-methyl-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] dodecanedioate
CID 170682365
2,2,2-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
8,8-dimethyldecyl 2-methylprop-2-enoate
CID 58241592
(5,5-dimethyl-2-oxoheptyl) 2-methylprop-2-enoate
CID 87641053
[2-hydroxy-2-methyl-3-(2-methylprop-2-enoyloxy)propyl] 2,2-dimethylbutanoate
CID 59078170
ethyl 2-methylprop-2-enoate
CID 130475774

Frequently Asked Questions

What is the IUPAC name of [2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate?
The IUPAC name of [2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate (CID 174553276) is [2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate?
The canonical SMILES for [2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)(COC(=O)C(=C)C)CC(C)(C)CC.
What is the InChIKey of [2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate?
The InChIKey is AOTAYTQHPMRNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-9-17(6,7)10-18(8,11-21-15(19)13(2)3)12-22-16(20)14(4)5/h2,4,9-12H2,1,3,5-8H3.
What are the key properties of [2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate?
[2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate has a molecular weight of 310.43 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 174553276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).