2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate

C16H28O3 — CID 89235047

IUPAC2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate
SMILESC=CCOCCOC(=O)C(C)(C=C(C)C)C(C)(C)C
InChIInChI=1S/C16H28O3/c1-8-9-18-10-11-19-14(17)16(7,12-13(2)3)15(4,5)6/h8,12H,1,9-11H2,2-7H3
InChIKeyHAIKRIITTSGGCE-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.75
Rot. Bonds7

About 2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate

2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate (PubChem CID 89235047) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate.

Molecular Properties

Compound Name2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate
PubChem CID89235047
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate
SMILESC=CCOCCOC(=O)C(C)(C=C(C)C)C(C)(C)C
InChIInChI=1S/C16H28O3/c1-8-9-18-10-11-19-14(17)16(7,12-13(2)3)15(4,5)6/h8,12H,1,9-11H2,2-7H3
InChIKeyHAIKRIITTSGGCE-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate
CID 87664251
2-prop-2-enoxyethyl 2,2-dimethylpropanoate
CID 89277080
2-(2-tert-butyl-2,4-dimethylpent-3-enoyl)oxyethoxy-hydroxy-oxophosphanium
CID 88951585
2-(2-tert-butyl-2,4-dimethylpent-3-enoyl)oxyethanesulfonic acid
CID 89046420
2-(2-prop-2-enoxyethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 58205656
2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate
CID 525183
2-(2-prop-2-enoxyethoxy)ethyl acetate
CID 525147
3,3,4,4,5,5,6,6,6-nonafluorohexyl 2-tert-butyl-2,4-dimethylpent-3-enoate
CID 88902065
carbonic acid;3-(2-prop-2-enoxyethoxy)prop-1-ene
CID 88663194
N-butan-2-ylacetamide;2-prop-2-enoxyethyl 2,2-dimethylbutanoate
CID 123591285
2-tert-butyl-N,N,2,4-tetramethylpent-3-enamide
CID 88877368
tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate
CID 71514615

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate?
The IUPAC name of 2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate (CID 89235047) is 2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate.
What is the SMILES notation for 2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate?
The canonical SMILES for 2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate is C=CCOCCOC(=O)C(C)(C=C(C)C)C(C)(C)C.
What is the InChIKey of 2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate?
The InChIKey is HAIKRIITTSGGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-8-9-18-10-11-19-14(17)16(7,12-13(2)3)15(4,5)6/h8,12H,1,9-11H2,2-7H3.
What are the key properties of 2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate?
2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate has a molecular weight of 268.40 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate is sourced from PubChem (CID 89235047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).