2,6-dimethoxyoct-7-ene-2,6-diol

C10H20O4 — CID 100933966

IUPAC2,6-dimethoxyoct-7-ene-2,6-diol
SMILESC=CC(O)(CCCC(C)(O)OC)OC
InChIInChI=1S/C10H20O4/c1-5-10(12,14-4)8-6-7-9(2,11)13-3/h5,11-12H,1,6-8H2,2-4H3
InChIKeyOZLFWKVGQLXSGI-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.03
Rot. Bonds7

About 2,6-dimethoxyoct-7-ene-2,6-diol

2,6-dimethoxyoct-7-ene-2,6-diol (PubChem CID 100933966) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,6-dimethoxyoct-7-ene-2,6-diol.

Molecular Properties

Compound Name2,6-dimethoxyoct-7-ene-2,6-diol
PubChem CID100933966
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name2,6-dimethoxyoct-7-ene-2,6-diol
SMILESC=CC(O)(CCCC(C)(O)OC)OC
InChIInChI=1S/C10H20O4/c1-5-10(12,14-4)8-6-7-9(2,11)13-3/h5,11-12H,1,6-8H2,2-4H3
InChIKeyOZLFWKVGQLXSGI-UHFFFAOYSA-N
XLogP1.03
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2,6-dimethoxyoct-7-ene-2,6-diol?
The IUPAC name of 2,6-dimethoxyoct-7-ene-2,6-diol (CID 100933966) is 2,6-dimethoxyoct-7-ene-2,6-diol.
What is the SMILES notation for 2,6-dimethoxyoct-7-ene-2,6-diol?
The canonical SMILES for 2,6-dimethoxyoct-7-ene-2,6-diol is C=CC(O)(CCCC(C)(O)OC)OC.
What is the InChIKey of 2,6-dimethoxyoct-7-ene-2,6-diol?
The InChIKey is OZLFWKVGQLXSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-5-10(12,14-4)8-6-7-9(2,11)13-3/h5,11-12H,1,6-8H2,2-4H3.
What are the key properties of 2,6-dimethoxyoct-7-ene-2,6-diol?
2,6-dimethoxyoct-7-ene-2,6-diol has a molecular weight of 204.27 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxyoct-7-ene-2,6-diol is sourced from PubChem (CID 100933966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).