butyl 2-prop-2-enoxy-2-prop-2-enylpent-4-enoate

C15H24O3 — CID 10753325

IUPACbutyl 2-prop-2-enoxy-2-prop-2-enylpent-4-enoate
SMILESC=CCOC(CC=C)(CC=C)C(=O)OCCCC
InChIInChI=1S/C15H24O3/c1-5-9-13-17-14(16)15(10-6-2,11-7-3)18-12-8-4/h6-8H,2-5,9-13H2,1H3
InChIKeyIBWOYZJUQZZZBJ-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.42
Rot. Bonds11

About butyl 2-prop-2-enoxy-2-prop-2-enylpent-4-enoate

butyl 2-prop-2-enoxy-2-prop-2-enylpent-4-enoate (PubChem CID 10753325) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is butyl 2-prop-2-enoxy-2-prop-2-enylpent-4-enoate.

Molecular Properties

Compound Namebutyl 2-prop-2-enoxy-2-prop-2-enylpent-4-enoate
PubChem CID10753325
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Namebutyl 2-prop-2-enoxy-2-prop-2-enylpent-4-enoate
SMILESC=CCOC(CC=C)(CC=C)C(=O)OCCCC
InChIInChI=1S/C15H24O3/c1-5-9-13-17-14(16)15(10-6-2,11-7-3)18-12-8-4/h6-8H,2-5,9-13H2,1H3
InChIKeyIBWOYZJUQZZZBJ-UHFFFAOYSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.42
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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Frequently Asked Questions

What is the IUPAC name of butyl 2-prop-2-enoxy-2-prop-2-enylpent-4-enoate?
The IUPAC name of butyl 2-prop-2-enoxy-2-prop-2-enylpent-4-enoate (CID 10753325) is butyl 2-prop-2-enoxy-2-prop-2-enylpent-4-enoate.
What is the SMILES notation for butyl 2-prop-2-enoxy-2-prop-2-enylpent-4-enoate?
The canonical SMILES for butyl 2-prop-2-enoxy-2-prop-2-enylpent-4-enoate is C=CCOC(CC=C)(CC=C)C(=O)OCCCC.
What is the InChIKey of butyl 2-prop-2-enoxy-2-prop-2-enylpent-4-enoate?
The InChIKey is IBWOYZJUQZZZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-5-9-13-17-14(16)15(10-6-2,11-7-3)18-12-8-4/h6-8H,2-5,9-13H2,1H3.
What are the key properties of butyl 2-prop-2-enoxy-2-prop-2-enylpent-4-enoate?
butyl 2-prop-2-enoxy-2-prop-2-enylpent-4-enoate has a molecular weight of 252.35 g/mol, XLogP of 3.42, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-prop-2-enoxy-2-prop-2-enylpent-4-enoate is sourced from PubChem (CID 10753325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).