2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol

C10H20O5 — CID 77486705

IUPAC2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCC(C)C1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C10H20O5/c1-3-5(2)10-9(14)8(13)7(12)6(4-11)15-10/h5-14H,3-4H2,1-2H3
InChIKeyCOUWSYJCLWEJIV-UHFFFAOYSA-N
MW220.26 g/mol
LogP-1.13
Rot. Bonds3

About 2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol

2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 77486705) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is 2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID77486705
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCC(C)C1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C10H20O5/c1-3-5(2)10-9(14)8(13)7(12)6(4-11)15-10/h5-14H,3-4H2,1-2H3
InChIKeyCOUWSYJCLWEJIV-UHFFFAOYSA-N
XLogP-1.13
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-butan-2-yl-6-(hydroxymethyl)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

Related Compounds

(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol
CID 158253201
[(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol
CID 11094654
(3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol
CID 137470121
(2R,3S,4S)-2-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 138667541
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-undecan-2-yloxolane-3,4-diol
CID 89443137
3-[(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide
CID 142588207
3-methyl-5-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanoic acid
CID 174516009
(3R,4S,5S,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 58060781
ethyl 2-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanoate
CID 134517608
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 167433871

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol (CID 77486705) is 2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol is CCC(C)C1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is COUWSYJCLWEJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5/c1-3-5(2)10-9(14)8(13)7(12)6(4-11)15-10/h5-14H,3-4H2,1-2H3.
What are the key properties of 2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol?
2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 220.26 g/mol, XLogP of -1.13, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 77486705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).