[2-methyl-4-(4-methyl-3-oxopent-4-en-2-yl)oxybutan-2-yl] 2-methylprop-2-enoate

C15H24O4 — CID 89150952

IUPAC[2-methyl-4-(4-methyl-3-oxopent-4-en-2-yl)oxybutan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)CCOC(C)C(=O)C(=C)C
InChIInChI=1S/C15H24O4/c1-10(2)13(16)12(5)18-9-8-15(6,7)19-14(17)11(3)4/h12H,1,3,8-9H2,2,4-7H3
InChIKeyNLWLGYJIIJVCED-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.82
Rot. Bonds8

About [2-methyl-4-(4-methyl-3-oxopent-4-en-2-yl)oxybutan-2-yl] 2-methylprop-2-enoate

[2-methyl-4-(4-methyl-3-oxopent-4-en-2-yl)oxybutan-2-yl] 2-methylprop-2-enoate (PubChem CID 89150952) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is [2-methyl-4-(4-methyl-3-oxopent-4-en-2-yl)oxybutan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-methyl-4-(4-methyl-3-oxopent-4-en-2-yl)oxybutan-2-yl] 2-methylprop-2-enoate
PubChem CID89150952
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name[2-methyl-4-(4-methyl-3-oxopent-4-en-2-yl)oxybutan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)CCOC(C)C(=O)C(=C)C
InChIInChI=1S/C15H24O4/c1-10(2)13(16)12(5)18-9-8-15(6,7)19-14(17)11(3)4/h12H,1,3,8-9H2,2,4-7H3
InChIKeyNLWLGYJIIJVCED-UHFFFAOYSA-N
XLogP2.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.82
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 [2-methyl-4-(4-methyl-3-oxopent-4-en-2-yl)oxybutan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [2-methyl-4-(4-methyl-3-oxopent-4-en-2-yl)oxybutan-2-yl] 2-methylprop-2-enoate (CID 89150952) is [2-methyl-4-(4-methyl-3-oxopent-4-en-2-yl)oxybutan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-methyl-4-(4-methyl-3-oxopent-4-en-2-yl)oxybutan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [2-methyl-4-(4-methyl-3-oxopent-4-en-2-yl)oxybutan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)CCOC(C)C(=O)C(=C)C.
What is the InChIKey of [2-methyl-4-(4-methyl-3-oxopent-4-en-2-yl)oxybutan-2-yl] 2-methylprop-2-enoate?
The InChIKey is NLWLGYJIIJVCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-10(2)13(16)12(5)18-9-8-15(6,7)19-14(17)11(3)4/h12H,1,3,8-9H2,2,4-7H3.
What are the key properties of [2-methyl-4-(4-methyl-3-oxopent-4-en-2-yl)oxybutan-2-yl] 2-methylprop-2-enoate?
[2-methyl-4-(4-methyl-3-oxopent-4-en-2-yl)oxybutan-2-yl] 2-methylprop-2-enoate has a molecular weight of 268.35 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(4-methyl-3-oxopent-4-en-2-yl)oxybutan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 89150952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).