3-(4-ethyl-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-2,4-diol

C16H30O7 — CID 91098679

IUPAC3-(4-ethyl-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-2,4-diol
SMILESCCC1(C)CC(OC2C(O)OC(CO)C(C)C2O)OC(C)C1O
InChIInChI=1S/C16H30O7/c1-5-16(4)6-11(21-9(3)14(16)19)23-13-12(18)8(2)10(7-17)22-15(13)20/h8-15,17-20H,5-7H2,1-4H3
InChIKeyBNAFHIKCUOVMEI-UHFFFAOYSA-N
MW334.41 g/mol
LogP-0.01
Rot. Bonds4

About 3-(4-ethyl-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-2,4-diol

3-(4-ethyl-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-2,4-diol (PubChem CID 91098679) has the molecular formula C16H30O7 and a molecular weight of 334.41 g/mol. Its IUPAC name is 3-(4-ethyl-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-2,4-diol.

Molecular Properties

Compound Name3-(4-ethyl-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-2,4-diol
PubChem CID91098679
Molecular FormulaC16H30O7
Molecular Weight334.41 g/mol
Exact Mass334.20
IUPAC Name3-(4-ethyl-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-2,4-diol
SMILESCCC1(C)CC(OC2C(O)OC(CO)C(C)C2O)OC(C)C1O
InChIInChI=1S/C16H30O7/c1-5-16(4)6-11(21-9(3)14(16)19)23-13-12(18)8(2)10(7-17)22-15(13)20/h8-15,17-20H,5-7H2,1-4H3
InChIKeyBNAFHIKCUOVMEI-UHFFFAOYSA-N
XLogP-0.01
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-2,4-diol?
The IUPAC name of 3-(4-ethyl-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-2,4-diol (CID 91098679) is 3-(4-ethyl-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-2,4-diol.
What is the SMILES notation for 3-(4-ethyl-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-2,4-diol?
The canonical SMILES for 3-(4-ethyl-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-2,4-diol is CCC1(C)CC(OC2C(O)OC(CO)C(C)C2O)OC(C)C1O.
What is the InChIKey of 3-(4-ethyl-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-2,4-diol?
The InChIKey is BNAFHIKCUOVMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O7/c1-5-16(4)6-11(21-9(3)14(16)19)23-13-12(18)8(2)10(7-17)22-15(13)20/h8-15,17-20H,5-7H2,1-4H3.
What are the key properties of 3-(4-ethyl-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-2,4-diol?
3-(4-ethyl-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-2,4-diol has a molecular weight of 334.41 g/mol, XLogP of -0.01, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-2,4-diol is sourced from PubChem (CID 91098679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).