[4-ethyl-4-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate

C16H26O4 — CID 54564170

IUPAC[4-ethyl-4-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)C(CC)(CC)OC(=O)C(=C)C
InChIInChI=1S/C16H26O4/c1-8-13(19-14(17)11(4)5)16(9-2,10-3)20-15(18)12(6)7/h13H,4,6,8-10H2,1-3,5,7H3
InChIKeyZSQRGUMPVHJQRS-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.56
Rot. Bonds8

About [4-ethyl-4-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate

[4-ethyl-4-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate (PubChem CID 54564170) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is [4-ethyl-4-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-ethyl-4-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate
PubChem CID54564170
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name[4-ethyl-4-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)C(CC)(CC)OC(=O)C(=C)C
InChIInChI=1S/C16H26O4/c1-8-13(19-14(17)11(4)5)16(9-2,10-3)20-15(18)12(6)7/h13H,4,6,8-10H2,1-3,5,7H3
InChIKeyZSQRGUMPVHJQRS-UHFFFAOYSA-N
XLogP3.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-4-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate?
The IUPAC name of [4-ethyl-4-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate (CID 54564170) is [4-ethyl-4-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-ethyl-4-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate?
The canonical SMILES for [4-ethyl-4-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)C(CC)(CC)OC(=O)C(=C)C.
What is the InChIKey of [4-ethyl-4-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate?
The InChIKey is ZSQRGUMPVHJQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-8-13(19-14(17)11(4)5)16(9-2,10-3)20-15(18)12(6)7/h13H,4,6,8-10H2,1-3,5,7H3.
What are the key properties of [4-ethyl-4-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate?
[4-ethyl-4-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate has a molecular weight of 282.38 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-4-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 54564170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).