2-(5-prop-2-enoyloxypentan-2-yloxy)ethyl 2-methylbutanoate

C15H26O5 — CID 58040725

IUPAC2-(5-prop-2-enoyloxypentan-2-yloxy)ethyl 2-methylbutanoate
SMILESC=CC(=O)OCCCC(C)OCCOC(=O)C(C)CC
InChIInChI=1S/C15H26O5/c1-5-12(3)15(17)20-11-10-18-13(4)8-7-9-19-14(16)6-2/h6,12-13H,2,5,7-11H2,1,3-4H3
InChIKeyKHLZOBHHIWYGAX-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.49
Rot. Bonds11

About 2-(5-prop-2-enoyloxypentan-2-yloxy)ethyl 2-methylbutanoate

2-(5-prop-2-enoyloxypentan-2-yloxy)ethyl 2-methylbutanoate (PubChem CID 58040725) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(5-prop-2-enoyloxypentan-2-yloxy)ethyl 2-methylbutanoate.

Molecular Properties

Compound Name2-(5-prop-2-enoyloxypentan-2-yloxy)ethyl 2-methylbutanoate
PubChem CID58040725
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name2-(5-prop-2-enoyloxypentan-2-yloxy)ethyl 2-methylbutanoate
SMILESC=CC(=O)OCCCC(C)OCCOC(=O)C(C)CC
InChIInChI=1S/C15H26O5/c1-5-12(3)15(17)20-11-10-18-13(4)8-7-9-19-14(16)6-2/h6,12-13H,2,5,7-11H2,1,3-4H3
InChIKeyKHLZOBHHIWYGAX-UHFFFAOYSA-N
XLogP2.49
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-prop-2-enoyloxybutanoyloxy)ethyl 2-methylbutanoate
CID 58203094
2-(3-prop-2-enoyloxypropylcarbamoyloxy)ethyl 2-methylbutanoate
CID 167317155
1-O-[2-(2-methylbutanoyloxy)ethyl] 5-O-(2-prop-2-enoyloxyethyl) 4-ethyl-2-methylpentanedioate
CID 166589996
4-methylhexyl prop-2-enoate
CID 58980362
2-[4-(2-prop-2-enoyloxyethoxy)butanoyloxy]ethyl 2-methylbutanoate
CID 164970807
[(4R)-4-triethylsilyloxypentyl] prop-2-enoate
CID 141157496
4-aminohexyl prop-2-enoate
CID 91140688
icosakis(2-prop-2-enoyloxyethyl) 1-methylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylate
CID 58241540
4-sulfanylhexyl prop-2-enoate
CID 141236879
4-hydroxyoctyl prop-2-enoate
CID 142754995
4-(dimethylamino)pentyl prop-2-enoate
CID 159489055
4,4-bis(2-methoxyethoxy)butyl prop-2-enoate
CID 87318411

Frequently Asked Questions

What is the IUPAC name of 2-(5-prop-2-enoyloxypentan-2-yloxy)ethyl 2-methylbutanoate?
The IUPAC name of 2-(5-prop-2-enoyloxypentan-2-yloxy)ethyl 2-methylbutanoate (CID 58040725) is 2-(5-prop-2-enoyloxypentan-2-yloxy)ethyl 2-methylbutanoate.
What is the SMILES notation for 2-(5-prop-2-enoyloxypentan-2-yloxy)ethyl 2-methylbutanoate?
The canonical SMILES for 2-(5-prop-2-enoyloxypentan-2-yloxy)ethyl 2-methylbutanoate is C=CC(=O)OCCCC(C)OCCOC(=O)C(C)CC.
What is the InChIKey of 2-(5-prop-2-enoyloxypentan-2-yloxy)ethyl 2-methylbutanoate?
The InChIKey is KHLZOBHHIWYGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-5-12(3)15(17)20-11-10-18-13(4)8-7-9-19-14(16)6-2/h6,12-13H,2,5,7-11H2,1,3-4H3.
What are the key properties of 2-(5-prop-2-enoyloxypentan-2-yloxy)ethyl 2-methylbutanoate?
2-(5-prop-2-enoyloxypentan-2-yloxy)ethyl 2-methylbutanoate has a molecular weight of 286.37 g/mol, XLogP of 2.49, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-prop-2-enoyloxypentan-2-yloxy)ethyl 2-methylbutanoate is sourced from PubChem (CID 58040725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).