5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol

C12H24O7 — CID 130303988

IUPAC5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol
SMILESCOC1OC(COCCO)C(C)C(O)C1OCCO
InChIInChI=1S/C12H24O7/c1-8-9(7-17-5-3-13)19-12(16-2)11(10(8)15)18-6-4-14/h8-15H,3-7H2,1-2H3
InChIKeyBYBOAMGQDGZARL-UHFFFAOYSA-N
MW280.32 g/mol
LogP-1.26
Rot. Bonds8

About 5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol

5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol (PubChem CID 130303988) has the molecular formula C12H24O7 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol.

Molecular Properties

Compound Name5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol
PubChem CID130303988
Molecular FormulaC12H24O7
Molecular Weight280.32 g/mol
Exact Mass280.15
IUPAC Name5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol
SMILESCOC1OC(COCCO)C(C)C(O)C1OCCO
InChIInChI=1S/C12H24O7/c1-8-9(7-17-5-3-13)19-12(16-2)11(10(8)15)18-6-4-14/h8-15H,3-7H2,1-2H3
InChIKeyBYBOAMGQDGZARL-UHFFFAOYSA-N
XLogP-1.26
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3,4,5-tris(2-hydroxyethoxy)-6-methoxyoxan-2-yl]methoxy]ethanol
CID 19991269
(3R,4S,6R)-5-amino-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol
CID 58807594
2,3-dimethoxy-6-(methoxymethyl)-5-methyloxan-4-ol
CID 76704011
2-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol
CID 126968510
(2S,3S,4R,5R)-2-[[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methoxy-3-methyloxan-2-yl]methoxy]oxane-3,4,5-triol
CID 167060038
(3R,4S,6S)-2-(2-hydroxyethoxymethyl)-6-[(3R,4S,6R)-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-3-methyloxan-4-ol
CID 118441361
(2R,5R)-2-[(3R,5R,6R)-5-[2-(2-ethoxyethoxy)ethoxy]-6-[(3S,6R)-6-[(3R,5R,6R)-6-[(3R,6R)-6-[(3R,5R,6S)-5-(2-ethoxyethoxy)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxymethyl]-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methoxyoxan-3-yl]oxy-2-(ethoxymethyl)-4-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]oxan-3-yl]oxy-2-(2-ethoxyethoxymethyl)-5-(2-hydroxyethoxy)-4-methoxyoxan-3-yl]oxy-4-hydroxy-2-[2-(2-methoxyethoxy)ethoxymethyl]oxan-3-yl]oxy-5-[(2R,3R,5R)-3-(2-ethoxyethoxy)-4-hydroxy-6-[2-(2-hydroxyethoxy)ethoxymethyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 130278872
(2R,3R,4S,5R,6R,7R)-5,6-dibutoxy-7-(butoxymethyl)-2-methoxyoxepane-3,4-diol
CID 71171695
(2R,3S,4R,5S)-3-butoxy-2-(butoxymethyl)-5-methoxy-4-methyloxolane
CID 71048290
(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
CID 162222185
(2R,3S,4S,5R,6S)-2-(2-hydroxyethoxymethyl)-6-octoxyoxane-3,4,5-triol
CID 66765447
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 10926361

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol?
The IUPAC name of 5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol (CID 130303988) is 5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol.
What is the SMILES notation for 5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol?
The canonical SMILES for 5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol is COC1OC(COCCO)C(C)C(O)C1OCCO.
What is the InChIKey of 5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol?
The InChIKey is BYBOAMGQDGZARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O7/c1-8-9(7-17-5-3-13)19-12(16-2)11(10(8)15)18-6-4-14/h8-15H,3-7H2,1-2H3.
What are the key properties of 5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol?
5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol has a molecular weight of 280.32 g/mol, XLogP of -1.26, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol is sourced from PubChem (CID 130303988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).