2-(6-hydroxyoct-3-enoyloxy)ethyl 6-hydroxyoct-3-enoate

C18H30O6 — CID 157274774

IUPAC2-(6-hydroxyoct-3-enoyloxy)ethyl 6-hydroxyoct-3-enoate
SMILESCCC(O)CC=CCC(=O)OCCOC(=O)CC=CCC(O)CC
InChIInChI=1S/C18H30O6/c1-3-15(19)9-5-7-11-17(21)23-13-14-24-18(22)12-8-6-10-16(20)4-2/h5-8,15-16,19-20H,3-4,9-14H2,1-2H3
InChIKeyAYYUPXPPIZSIPE-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.29
Rot. Bonds13

About 2-(6-hydroxyoct-3-enoyloxy)ethyl 6-hydroxyoct-3-enoate

2-(6-hydroxyoct-3-enoyloxy)ethyl 6-hydroxyoct-3-enoate (PubChem CID 157274774) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is 2-(6-hydroxyoct-3-enoyloxy)ethyl 6-hydroxyoct-3-enoate.

Molecular Properties

Compound Name2-(6-hydroxyoct-3-enoyloxy)ethyl 6-hydroxyoct-3-enoate
PubChem CID157274774
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Name2-(6-hydroxyoct-3-enoyloxy)ethyl 6-hydroxyoct-3-enoate
SMILESCCC(O)CC=CCC(=O)OCCOC(=O)CC=CCC(O)CC
InChIInChI=1S/C18H30O6/c1-3-15(19)9-5-7-11-17(21)23-13-14-24-18(22)12-8-6-10-16(20)4-2/h5-8,15-16,19-20H,3-4,9-14H2,1-2H3
InChIKeyAYYUPXPPIZSIPE-UHFFFAOYSA-N
XLogP2.29
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-(6-hydroxyoct-3-enoyloxy)ethyl 6-hydroxyoct-3-enoate?
The IUPAC name of 2-(6-hydroxyoct-3-enoyloxy)ethyl 6-hydroxyoct-3-enoate (CID 157274774) is 2-(6-hydroxyoct-3-enoyloxy)ethyl 6-hydroxyoct-3-enoate.
What is the SMILES notation for 2-(6-hydroxyoct-3-enoyloxy)ethyl 6-hydroxyoct-3-enoate?
The canonical SMILES for 2-(6-hydroxyoct-3-enoyloxy)ethyl 6-hydroxyoct-3-enoate is CCC(O)CC=CCC(=O)OCCOC(=O)CC=CCC(O)CC.
What is the InChIKey of 2-(6-hydroxyoct-3-enoyloxy)ethyl 6-hydroxyoct-3-enoate?
The InChIKey is AYYUPXPPIZSIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O6/c1-3-15(19)9-5-7-11-17(21)23-13-14-24-18(22)12-8-6-10-16(20)4-2/h5-8,15-16,19-20H,3-4,9-14H2,1-2H3.
What are the key properties of 2-(6-hydroxyoct-3-enoyloxy)ethyl 6-hydroxyoct-3-enoate?
2-(6-hydroxyoct-3-enoyloxy)ethyl 6-hydroxyoct-3-enoate has a molecular weight of 342.43 g/mol, XLogP of 2.29, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyoct-3-enoyloxy)ethyl 6-hydroxyoct-3-enoate is sourced from PubChem (CID 157274774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).