2-ethyl-5-(2-methylprop-2-enoyloxy)pentanoic acid

C11H18O4 — CID 140531470

IUPAC2-ethyl-5-(2-methylprop-2-enoyloxy)pentanoic acid
SMILESC=C(C)C(=O)OCCCC(CC)C(=O)O
InChIInChI=1S/C11H18O4/c1-4-9(10(12)13)6-5-7-15-11(14)8(2)3/h9H,2,4-7H2,1,3H3,(H,12,13)
InChIKeySRXHULIUWQFVEW-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.00
Rot. Bonds7

About 2-ethyl-5-(2-methylprop-2-enoyloxy)pentanoic acid

2-ethyl-5-(2-methylprop-2-enoyloxy)pentanoic acid (PubChem CID 140531470) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-ethyl-5-(2-methylprop-2-enoyloxy)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-5-(2-methylprop-2-enoyloxy)pentanoic acid
PubChem CID140531470
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-ethyl-5-(2-methylprop-2-enoyloxy)pentanoic acid
SMILESC=C(C)C(=O)OCCCC(CC)C(=O)O
InChIInChI=1S/C11H18O4/c1-4-9(10(12)13)6-5-7-15-11(14)8(2)3/h9H,2,4-7H2,1,3H3,(H,12,13)
InChIKeySRXHULIUWQFVEW-UHFFFAOYSA-N
XLogP2.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetyl-5-(2-methylprop-2-enoyloxy)pentanoic acid
CID 174833917
[7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
CID 155725182
4-ethyloctyl 2-methylprop-2-enoate
CID 57022473
11-(2-methylprop-2-enoyloxy)-2-(phosphonomethyl)undecanoic acid
CID 87528739
2-[10-(2-methylprop-2-enoyloxy)decyl]propanedioic acid
CID 14453192
2-amino-6-(2-methylprop-2-enoyloxy)hexanoic acid
CID 123260181
6-(2-methylprop-2-enoyloxy)hexane-3-sulfinic acid
CID 91016223
(5-hydroxy-4-methoxy-5-methylhexyl) 2-methylprop-2-enoate
CID 173040331
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
triethyl-[12-(2-methylprop-2-enoyloxy)dodecyl]phosphanium bromide
CID 121293506
3-O,7-O-dibutyl 5-O-methyl 1,11-bis(2-methylprop-2-enoyloxy)undecane-3,5,7-tricarboxylate
CID 59087626
butyl 2-methylprop-2-enoate;carbamic acid
CID 174813698

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-methylprop-2-enoyloxy)pentanoic acid?
The IUPAC name of 2-ethyl-5-(2-methylprop-2-enoyloxy)pentanoic acid (CID 140531470) is 2-ethyl-5-(2-methylprop-2-enoyloxy)pentanoic acid.
What is the SMILES notation for 2-ethyl-5-(2-methylprop-2-enoyloxy)pentanoic acid?
The canonical SMILES for 2-ethyl-5-(2-methylprop-2-enoyloxy)pentanoic acid is C=C(C)C(=O)OCCCC(CC)C(=O)O.
What is the InChIKey of 2-ethyl-5-(2-methylprop-2-enoyloxy)pentanoic acid?
The InChIKey is SRXHULIUWQFVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-9(10(12)13)6-5-7-15-11(14)8(2)3/h9H,2,4-7H2,1,3H3,(H,12,13).
What are the key properties of 2-ethyl-5-(2-methylprop-2-enoyloxy)pentanoic acid?
2-ethyl-5-(2-methylprop-2-enoyloxy)pentanoic acid has a molecular weight of 214.26 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-methylprop-2-enoyloxy)pentanoic acid is sourced from PubChem (CID 140531470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).