6-(3-hydroxybutoxy)-2-methoxy-6-methyl-5-propyloxane-3,4-diol

C14H28O6 — CID 70955804

IUPAC6-(3-hydroxybutoxy)-2-methoxy-6-methyl-5-propyloxane-3,4-diol
SMILESCCCC1C(O)C(O)C(OC)OC1(C)OCCC(C)O
InChIInChI=1S/C14H28O6/c1-5-6-10-11(16)12(17)13(18-4)20-14(10,3)19-8-7-9(2)15/h9-13,15-17H,5-8H2,1-4H3
InChIKeyDMNFGNSUBPEBPD-UHFFFAOYSA-N
MW292.37 g/mol
LogP0.63
Rot. Bonds7

About 6-(3-hydroxybutoxy)-2-methoxy-6-methyl-5-propyloxane-3,4-diol

6-(3-hydroxybutoxy)-2-methoxy-6-methyl-5-propyloxane-3,4-diol (PubChem CID 70955804) has the molecular formula C14H28O6 and a molecular weight of 292.37 g/mol. Its IUPAC name is 6-(3-hydroxybutoxy)-2-methoxy-6-methyl-5-propyloxane-3,4-diol.

Molecular Properties

Compound Name6-(3-hydroxybutoxy)-2-methoxy-6-methyl-5-propyloxane-3,4-diol
PubChem CID70955804
Molecular FormulaC14H28O6
Molecular Weight292.37 g/mol
Exact Mass292.19
IUPAC Name6-(3-hydroxybutoxy)-2-methoxy-6-methyl-5-propyloxane-3,4-diol
SMILESCCCC1C(O)C(O)C(OC)OC1(C)OCCC(C)O
InChIInChI=1S/C14H28O6/c1-5-6-10-11(16)12(17)13(18-4)20-14(10,3)19-8-7-9(2)15/h9-13,15-17H,5-8H2,1-4H3
InChIKeyDMNFGNSUBPEBPD-UHFFFAOYSA-N
XLogP0.63
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxybutoxy)-2-methoxy-6-methyl-5-propyloxane-3,4-diol?
The IUPAC name of 6-(3-hydroxybutoxy)-2-methoxy-6-methyl-5-propyloxane-3,4-diol (CID 70955804) is 6-(3-hydroxybutoxy)-2-methoxy-6-methyl-5-propyloxane-3,4-diol.
What is the SMILES notation for 6-(3-hydroxybutoxy)-2-methoxy-6-methyl-5-propyloxane-3,4-diol?
The canonical SMILES for 6-(3-hydroxybutoxy)-2-methoxy-6-methyl-5-propyloxane-3,4-diol is CCCC1C(O)C(O)C(OC)OC1(C)OCCC(C)O.
What is the InChIKey of 6-(3-hydroxybutoxy)-2-methoxy-6-methyl-5-propyloxane-3,4-diol?
The InChIKey is DMNFGNSUBPEBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O6/c1-5-6-10-11(16)12(17)13(18-4)20-14(10,3)19-8-7-9(2)15/h9-13,15-17H,5-8H2,1-4H3.
What are the key properties of 6-(3-hydroxybutoxy)-2-methoxy-6-methyl-5-propyloxane-3,4-diol?
6-(3-hydroxybutoxy)-2-methoxy-6-methyl-5-propyloxane-3,4-diol has a molecular weight of 292.37 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxybutoxy)-2-methoxy-6-methyl-5-propyloxane-3,4-diol is sourced from PubChem (CID 70955804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).