(2R,3S,4R)-6-(2,2-dimethylpropyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol

C11H20O4 — CID 175997583

IUPAC(2R,3S,4R)-6-(2,2-dimethylpropyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
SMILESCC(C)(C)CC1=C[C@@H](O)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C11H20O4/c1-11(2,3)5-7-4-8(13)10(14)9(6-12)15-7/h4,8-10,12-14H,5-6H2,1-3H3/t8-,9-,10+/m1/s1
InChIKeyXUUUTNGRBQDISL-BBBLOLIVSA-N
MW216.28 g/mol
LogP0.42
Rot. Bonds2

About (2R,3S,4R)-6-(2,2-dimethylpropyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol

(2R,3S,4R)-6-(2,2-dimethylpropyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 175997583) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R,3S,4R)-6-(2,2-dimethylpropyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-6-(2,2-dimethylpropyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID175997583
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(2R,3S,4R)-6-(2,2-dimethylpropyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
SMILESCC(C)(C)CC1=C[C@@H](O)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C11H20O4/c1-11(2,3)5-7-4-8(13)10(14)9(6-12)15-7/h4,8-10,12-14H,5-6H2,1-3H3/t8-,9-,10+/m1/s1
InChIKeyXUUUTNGRBQDISL-BBBLOLIVSA-N
XLogP0.42
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4S,5E)-2-(hydroxymethyl)-5-pentylideneoxolane-3,4-diol
CID 91235356
1,2-Dihydroxydihydroconiferyl alcohol
CID 129820304
(2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-pentylideneoxane-3,4,5-triol
CID 135045649
(2R,3S,4S,5R,6E)-2-(hydroxymethyl)-6-pentylideneoxane-3,4,5-triol
CID 135045762
(E)-4-methoxy-2,2-dimethylhex-4-en-3-ol
CID 13541711
CID 58455547
CID 58455547
2-tert-butyl-6-methyl-3,4-dihydro-2H-pyran-3,4-diol
CID 58529131
CID 58611883
CID 58611883
CID 59371913
CID 59371913
(2R,3R,4R)-2-(hydroxymethyl)-6-pentyl-3,4-dihydro-2H-pyran-3,4-diol
CID 67481894
(2R,3S,4R)-2-(hydroxymethyl)-6-pentyl-3,4-dihydro-2H-pyran-3,4-diol
CID 67481910
2-[(E)-but-2-enyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-diol
CID 68216099

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-6-(2,2-dimethylpropyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of (2R,3S,4R)-6-(2,2-dimethylpropyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol (CID 175997583) is (2R,3S,4R)-6-(2,2-dimethylpropyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-6-(2,2-dimethylpropyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for (2R,3S,4R)-6-(2,2-dimethylpropyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol is CC(C)(C)CC1=C[C@@H](O)[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S,4R)-6-(2,2-dimethylpropyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is XUUUTNGRBQDISL-BBBLOLIVSA-N. The full InChI is InChI=1S/C11H20O4/c1-11(2,3)5-7-4-8(13)10(14)9(6-12)15-7/h4,8-10,12-14H,5-6H2,1-3H3/t8-,9-,10+/m1/s1.
What are the key properties of (2R,3S,4R)-6-(2,2-dimethylpropyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol?
(2R,3S,4R)-6-(2,2-dimethylpropyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 216.28 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-6-(2,2-dimethylpropyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 175997583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).