2-(hydroxymethyl)-6-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]oxane-3,4,5-triol

C16H30O7 — CID 85282291

IUPAC2-(hydroxymethyl)-6-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]oxane-3,4,5-triol
SMILESCC(C)(O)C1CCC(COC2OC(CO)C(O)C(O)C2O)CC1
InChIInChI=1S/C16H30O7/c1-16(2,21)10-5-3-9(4-6-10)8-22-15-14(20)13(19)12(18)11(7-17)23-15/h9-15,17-21H,3-8H2,1-2H3
InChIKeyIJJKRFDBPRPLQQ-UHFFFAOYSA-N
MW334.41 g/mol
LogP-0.62
Rot. Bonds5

About 2-(hydroxymethyl)-6-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]oxane-3,4,5-triol

2-(hydroxymethyl)-6-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]oxane-3,4,5-triol (PubChem CID 85282291) has the molecular formula C16H30O7 and a molecular weight of 334.41 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]oxane-3,4,5-triol
PubChem CID85282291
Molecular FormulaC16H30O7
Molecular Weight334.41 g/mol
Exact Mass334.20
IUPAC Name2-(hydroxymethyl)-6-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]oxane-3,4,5-triol
SMILESCC(C)(O)C1CCC(COC2OC(CO)C(O)C(O)C2O)CC1
InChIInChI=1S/C16H30O7/c1-16(2,21)10-5-3-9(4-6-10)8-22-15-14(20)13(19)12(18)11(7-17)23-15/h9-15,17-21H,3-8H2,1-2H3
InChIKeyIJJKRFDBPRPLQQ-UHFFFAOYSA-N
XLogP-0.62
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 5-0.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-(hydroxymethyl)-6-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]oxane-3,4,5-triol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]oxane-3,4,5-triol (CID 85282291) is 2-(hydroxymethyl)-6-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]oxane-3,4,5-triol is CC(C)(O)C1CCC(COC2OC(CO)C(O)C(O)C2O)CC1.
What is the InChIKey of 2-(hydroxymethyl)-6-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]oxane-3,4,5-triol?
The InChIKey is IJJKRFDBPRPLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O7/c1-16(2,21)10-5-3-9(4-6-10)8-22-15-14(20)13(19)12(18)11(7-17)23-15/h9-15,17-21H,3-8H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-6-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]oxane-3,4,5-triol?
2-(hydroxymethyl)-6-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]oxane-3,4,5-triol has a molecular weight of 334.41 g/mol, XLogP of -0.62, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[[4-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 85282291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).