[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl] prop-2-enoate

C14H24O3 — CID 88942481

IUPAC[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl] prop-2-enoate
SMILESC=CCC(C)(C)OCCC(C)(C)OC(=O)C=C
InChIInChI=1S/C14H24O3/c1-7-9-13(3,4)16-11-10-14(5,6)17-12(15)8-2/h7-8H,1-2,9-11H2,3-6H3
InChIKeyAKADIWUKFVJJMF-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.26
Rot. Bonds8

About [2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl] prop-2-enoate

[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl] prop-2-enoate (PubChem CID 88942481) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is [2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl] prop-2-enoate
PubChem CID88942481
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl] prop-2-enoate
SMILESC=CCC(C)(C)OCCC(C)(C)OC(=O)C=C
InChIInChI=1S/C14H24O3/c1-7-9-13(3,4)16-11-10-14(5,6)17-12(15)8-2/h7-8H,1-2,9-11H2,3-6H3
InChIKeyAKADIWUKFVJJMF-UHFFFAOYSA-N
XLogP3.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl] prop-2-enoate?
The IUPAC name of [2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl] prop-2-enoate (CID 88942481) is [2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl] prop-2-enoate.
What is the SMILES notation for [2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl] prop-2-enoate?
The canonical SMILES for [2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl] prop-2-enoate is C=CCC(C)(C)OCCC(C)(C)OC(=O)C=C.
What is the InChIKey of [2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl] prop-2-enoate?
The InChIKey is AKADIWUKFVJJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-7-9-13(3,4)16-11-10-14(5,6)17-12(15)8-2/h7-8H,1-2,9-11H2,3-6H3.
What are the key properties of [2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl] prop-2-enoate?
[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl] prop-2-enoate has a molecular weight of 240.34 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl] prop-2-enoate is sourced from PubChem (CID 88942481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).