8-methoxy-8-propoxyoctane-1,4,5,7-tetrol

C12H26O6 — CID 170743133

IUPAC8-methoxy-8-propoxyoctane-1,4,5,7-tetrol
SMILESCCCOC(OC)C(O)CC(O)C(O)CCCO
InChIInChI=1S/C12H26O6/c1-3-7-18-12(17-2)11(16)8-10(15)9(14)5-4-6-13/h9-16H,3-8H2,1-2H3
InChIKeyIVOPYFCQNWRLIU-UHFFFAOYSA-N
MW266.33 g/mol
LogP-0.37
Rot. Bonds11

About 8-methoxy-8-propoxyoctane-1,4,5,7-tetrol

8-methoxy-8-propoxyoctane-1,4,5,7-tetrol (PubChem CID 170743133) has the molecular formula C12H26O6 and a molecular weight of 266.33 g/mol. Its IUPAC name is 8-methoxy-8-propoxyoctane-1,4,5,7-tetrol.

Molecular Properties

Compound Name8-methoxy-8-propoxyoctane-1,4,5,7-tetrol
PubChem CID170743133
Molecular FormulaC12H26O6
Molecular Weight266.33 g/mol
Exact Mass266.17
IUPAC Name8-methoxy-8-propoxyoctane-1,4,5,7-tetrol
SMILESCCCOC(OC)C(O)CC(O)C(O)CCCO
InChIInChI=1S/C12H26O6/c1-3-7-18-12(17-2)11(16)8-10(15)9(14)5-4-6-13/h9-16H,3-8H2,1-2H3
InChIKeyIVOPYFCQNWRLIU-UHFFFAOYSA-N
XLogP-0.37
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-8-propoxyoctane-1,4,5,7-tetrol?
The IUPAC name of 8-methoxy-8-propoxyoctane-1,4,5,7-tetrol (CID 170743133) is 8-methoxy-8-propoxyoctane-1,4,5,7-tetrol.
What is the SMILES notation for 8-methoxy-8-propoxyoctane-1,4,5,7-tetrol?
The canonical SMILES for 8-methoxy-8-propoxyoctane-1,4,5,7-tetrol is CCCOC(OC)C(O)CC(O)C(O)CCCO.
What is the InChIKey of 8-methoxy-8-propoxyoctane-1,4,5,7-tetrol?
The InChIKey is IVOPYFCQNWRLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O6/c1-3-7-18-12(17-2)11(16)8-10(15)9(14)5-4-6-13/h9-16H,3-8H2,1-2H3.
What are the key properties of 8-methoxy-8-propoxyoctane-1,4,5,7-tetrol?
8-methoxy-8-propoxyoctane-1,4,5,7-tetrol has a molecular weight of 266.33 g/mol, XLogP of -0.37, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-8-propoxyoctane-1,4,5,7-tetrol is sourced from PubChem (CID 170743133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).