[4,4,6-trimethyl-1-(2-methylprop-2-enoyloxy)octyl] 2-methylprop-2-enoate

C19H32O4 — CID 173023745

IUPAC[4,4,6-trimethyl-1-(2-methylprop-2-enoyloxy)octyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCC(C)(C)CC(C)CC)OC(=O)C(=C)C
InChIInChI=1S/C19H32O4/c1-9-15(6)12-19(7,8)11-10-16(22-17(20)13(2)3)23-18(21)14(4)5/h15-16H,2,4,9-12H2,1,3,5-8H3
InChIKeyFYZFVPIMVHDKMM-UHFFFAOYSA-N
MW324.46 g/mol
LogP4.79
Rot. Bonds10

About [4,4,6-trimethyl-1-(2-methylprop-2-enoyloxy)octyl] 2-methylprop-2-enoate

[4,4,6-trimethyl-1-(2-methylprop-2-enoyloxy)octyl] 2-methylprop-2-enoate (PubChem CID 173023745) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is [4,4,6-trimethyl-1-(2-methylprop-2-enoyloxy)octyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4,4,6-trimethyl-1-(2-methylprop-2-enoyloxy)octyl] 2-methylprop-2-enoate
PubChem CID173023745
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Name[4,4,6-trimethyl-1-(2-methylprop-2-enoyloxy)octyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCC(C)(C)CC(C)CC)OC(=O)C(=C)C
InChIInChI=1S/C19H32O4/c1-9-15(6)12-19(7,8)11-10-16(22-17(20)13(2)3)23-18(21)14(4)5/h15-16H,2,4,9-12H2,1,3,5-8H3
InChIKeyFYZFVPIMVHDKMM-UHFFFAOYSA-N
XLogP4.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 54.79
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 [4,4,6-trimethyl-1-(2-methylprop-2-enoyloxy)octyl] 2-methylprop-2-enoate?
The IUPAC name of [4,4,6-trimethyl-1-(2-methylprop-2-enoyloxy)octyl] 2-methylprop-2-enoate (CID 173023745) is [4,4,6-trimethyl-1-(2-methylprop-2-enoyloxy)octyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4,4,6-trimethyl-1-(2-methylprop-2-enoyloxy)octyl] 2-methylprop-2-enoate?
The canonical SMILES for [4,4,6-trimethyl-1-(2-methylprop-2-enoyloxy)octyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCC(C)(C)CC(C)CC)OC(=O)C(=C)C.
What is the InChIKey of [4,4,6-trimethyl-1-(2-methylprop-2-enoyloxy)octyl] 2-methylprop-2-enoate?
The InChIKey is FYZFVPIMVHDKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4/c1-9-15(6)12-19(7,8)11-10-16(22-17(20)13(2)3)23-18(21)14(4)5/h15-16H,2,4,9-12H2,1,3,5-8H3.
What are the key properties of [4,4,6-trimethyl-1-(2-methylprop-2-enoyloxy)octyl] 2-methylprop-2-enoate?
[4,4,6-trimethyl-1-(2-methylprop-2-enoyloxy)octyl] 2-methylprop-2-enoate has a molecular weight of 324.46 g/mol, XLogP of 4.79, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4,6-trimethyl-1-(2-methylprop-2-enoyloxy)octyl] 2-methylprop-2-enoate is sourced from PubChem (CID 173023745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).