[3-(methoxymethoxymethyl)-5-methylhex-4-en-3-yl] propanoate

C13H24O4 — CID 10014717

IUPAC[3-(methoxymethoxymethyl)-5-methylhex-4-en-3-yl] propanoate
SMILESCCC(=O)OC(C=C(C)C)(CC)COCOC
InChIInChI=1S/C13H24O4/c1-6-12(14)17-13(7-2,8-11(3)4)9-16-10-15-5/h8H,6-7,9-10H2,1-5H3
InChIKeyIAKKKTZREJJZDL-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.68
Rot. Bonds8

About [3-(methoxymethoxymethyl)-5-methylhex-4-en-3-yl] propanoate

[3-(methoxymethoxymethyl)-5-methylhex-4-en-3-yl] propanoate (PubChem CID 10014717) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is [3-(methoxymethoxymethyl)-5-methylhex-4-en-3-yl] propanoate.

Molecular Properties

Compound Name[3-(methoxymethoxymethyl)-5-methylhex-4-en-3-yl] propanoate
PubChem CID10014717
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name[3-(methoxymethoxymethyl)-5-methylhex-4-en-3-yl] propanoate
SMILESCCC(=O)OC(C=C(C)C)(CC)COCOC
InChIInChI=1S/C13H24O4/c1-6-12(14)17-13(7-2,8-11(3)4)9-16-10-15-5/h8H,6-7,9-10H2,1-5H3
InChIKeyIAKKKTZREJJZDL-UHFFFAOYSA-N
XLogP2.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethoxymethyl)-5-methylhex-4-en-3-yl] propanoate?
The IUPAC name of [3-(methoxymethoxymethyl)-5-methylhex-4-en-3-yl] propanoate (CID 10014717) is [3-(methoxymethoxymethyl)-5-methylhex-4-en-3-yl] propanoate.
What is the SMILES notation for [3-(methoxymethoxymethyl)-5-methylhex-4-en-3-yl] propanoate?
The canonical SMILES for [3-(methoxymethoxymethyl)-5-methylhex-4-en-3-yl] propanoate is CCC(=O)OC(C=C(C)C)(CC)COCOC.
What is the InChIKey of [3-(methoxymethoxymethyl)-5-methylhex-4-en-3-yl] propanoate?
The InChIKey is IAKKKTZREJJZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-6-12(14)17-13(7-2,8-11(3)4)9-16-10-15-5/h8H,6-7,9-10H2,1-5H3.
What are the key properties of [3-(methoxymethoxymethyl)-5-methylhex-4-en-3-yl] propanoate?
[3-(methoxymethoxymethyl)-5-methylhex-4-en-3-yl] propanoate has a molecular weight of 244.33 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethoxymethyl)-5-methylhex-4-en-3-yl] propanoate is sourced from PubChem (CID 10014717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).