[2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate

C14H22O4 — CID 19428958

IUPAC[2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)CC(C)OC(=O)C(=C)C
InChIInChI=1S/C14H22O4/c1-9(2)13(15)17-8-11(5)7-12(6)18-14(16)10(3)4/h11-12H,1,3,7-8H2,2,4-6H3
InChIKeyNXCNACAMONUAKB-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.64
Rot. Bonds7

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

[2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate (PubChem CID 19428958) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is [2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
PubChem CID19428958
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name[2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)CC(C)OC(=O)C(=C)C
InChIInChI=1S/C14H22O4/c1-9(2)13(15)17-8-11(5)7-12(6)18-14(16)10(3)4/h11-12H,1,3,7-8H2,2,4-6H3
InChIKeyNXCNACAMONUAKB-UHFFFAOYSA-N
XLogP2.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.64
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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Related Compounds

[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
[2,5-dimethyl-4-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate
CID 139804222
[2,7,9-trimethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
CID 175542458
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
2,4-dimethylpentane-1,5-diol;2-[2-(2-methylprop-2-enoyloxy)propoxy]propyl 2-methylprop-2-enoate
CID 87523878
[2,4-dimethyl-5-(2-methylprop-2-enoyloxy)pentyl]-triethylphosphanium
CID 134171436
ethane;(3-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 171797944
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
1-[2-(2-methylprop-2-enoyloxy)propoxyperoxy]propan-2-yl 2-methylprop-2-enoate
CID 90187084
(6-hydroxy-2-methylhexyl) 2-methylprop-2-enoate
CID 139797896

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate?
The IUPAC name of [2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate (CID 19428958) is [2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)CC(C)OC(=O)C(=C)C.
What is the InChIKey of [2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate?
The InChIKey is NXCNACAMONUAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-9(2)13(15)17-8-11(5)7-12(6)18-14(16)10(3)4/h11-12H,1,3,7-8H2,2,4-6H3.
What are the key properties of [2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate?
[2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate has a molecular weight of 254.33 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 19428958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).