[4-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate

C14H22O4 — CID 22990428

IUPAC[4-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CC(C)(C)OC(=O)C(=C)C
InChIInChI=1S/C14H22O4/c1-9(2)12(15)17-11(5)8-14(6,7)18-13(16)10(3)4/h11H,1,3,8H2,2,4-7H3
InChIKeyHKWDDFXMNREBSR-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.78
Rot. Bonds6

About [4-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate

[4-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate (PubChem CID 22990428) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is [4-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
PubChem CID22990428
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name[4-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)CC(C)(C)OC(=O)C(=C)C
InChIInChI=1S/C14H22O4/c1-9(2)12(15)17-11(5)8-14(6,7)18-13(16)10(3)4/h11H,1,3,8H2,2,4-7H3
InChIKeyHKWDDFXMNREBSR-UHFFFAOYSA-N
XLogP2.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.78
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-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [4-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate (CID 22990428) is [4-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [4-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)CC(C)(C)OC(=O)C(=C)C.
What is the InChIKey of [4-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate?
The InChIKey is HKWDDFXMNREBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-9(2)12(15)17-11(5)8-14(6,7)18-13(16)10(3)4/h11H,1,3,8H2,2,4-7H3.
What are the key properties of [4-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate?
[4-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate has a molecular weight of 254.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 22990428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).