6-methoxy-2,5,6-trimethylhept-3-ene-2,5-diol

C11H22O3 — CID 71369247

IUPAC6-methoxy-2,5,6-trimethylhept-3-ene-2,5-diol
SMILESCOC(C)(C)C(C)(O)C=CC(C)(C)O
InChIInChI=1S/C11H22O3/c1-9(2,12)7-8-11(5,13)10(3,4)14-6/h7-8,12-13H,1-6H3
InChIKeyLFKQDJAMYUQXLJ-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.49
Rot. Bonds4

About 6-methoxy-2,5,6-trimethylhept-3-ene-2,5-diol

6-methoxy-2,5,6-trimethylhept-3-ene-2,5-diol (PubChem CID 71369247) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 6-methoxy-2,5,6-trimethylhept-3-ene-2,5-diol.

Molecular Properties

Compound Name6-methoxy-2,5,6-trimethylhept-3-ene-2,5-diol
PubChem CID71369247
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name6-methoxy-2,5,6-trimethylhept-3-ene-2,5-diol
SMILESCOC(C)(C)C(C)(O)C=CC(C)(C)O
InChIInChI=1S/C11H22O3/c1-9(2,12)7-8-11(5,13)10(3,4)14-6/h7-8,12-13H,1-6H3
InChIKeyLFKQDJAMYUQXLJ-UHFFFAOYSA-N
XLogP1.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,5,6-trimethylhept-3-ene-2,5-diol?
The IUPAC name of 6-methoxy-2,5,6-trimethylhept-3-ene-2,5-diol (CID 71369247) is 6-methoxy-2,5,6-trimethylhept-3-ene-2,5-diol.
What is the SMILES notation for 6-methoxy-2,5,6-trimethylhept-3-ene-2,5-diol?
The canonical SMILES for 6-methoxy-2,5,6-trimethylhept-3-ene-2,5-diol is COC(C)(C)C(C)(O)C=CC(C)(C)O.
What is the InChIKey of 6-methoxy-2,5,6-trimethylhept-3-ene-2,5-diol?
The InChIKey is LFKQDJAMYUQXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-9(2,12)7-8-11(5,13)10(3,4)14-6/h7-8,12-13H,1-6H3.
What are the key properties of 6-methoxy-2,5,6-trimethylhept-3-ene-2,5-diol?
6-methoxy-2,5,6-trimethylhept-3-ene-2,5-diol has a molecular weight of 202.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,5,6-trimethylhept-3-ene-2,5-diol is sourced from PubChem (CID 71369247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).