[(3S,4R,6R)-3,4-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-pyran-5-id-2-yl]methanol;yttrium

C11H21O2Y- — CID 146746117

IUPAC[(3S,4R,6R)-3,4-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-pyran-5-id-2-yl]methanol;yttrium
SMILESCC(C)[C@H]1[CH-][C@@H](C)[C@H](C)C(CO)O1.[Y]
InChIInChI=1S/C11H21O2.Y/c1-7(2)10-5-8(3)9(4)11(6-12)13-10;/h5,7-12H,6H2,1-4H3;/q-1;/t8-,9+,10-,11?;/m1./s1
InChIKeyPJJHGUNVAZOTAG-HVTMUDBSSA-N
MW274.19 g/mol
LogP1.88
Rot. Bonds2

About [(3S,4R,6R)-3,4-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-pyran-5-id-2-yl]methanol;yttrium

[(3S,4R,6R)-3,4-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-pyran-5-id-2-yl]methanol;yttrium (PubChem CID 146746117) has the molecular formula C11H21O2Y- and a molecular weight of 274.19 g/mol. Its IUPAC name is [(3S,4R,6R)-3,4-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-pyran-5-id-2-yl]methanol;yttrium.

Molecular Properties

Compound Name[(3S,4R,6R)-3,4-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-pyran-5-id-2-yl]methanol;yttrium
PubChem CID146746117
Molecular FormulaC11H21O2Y-
Molecular Weight274.19 g/mol
Exact Mass274.06
IUPAC Name[(3S,4R,6R)-3,4-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-pyran-5-id-2-yl]methanol;yttrium
SMILESCC(C)[C@H]1[CH-][C@@H](C)[C@H](C)C(CO)O1.[Y]
InChIInChI=1S/C11H21O2.Y/c1-7(2)10-5-8(3)9(4)11(6-12)13-10;/h5,7-12H,6H2,1-4H3;/q-1;/t8-,9+,10-,11?;/m1./s1
InChIKeyPJJHGUNVAZOTAG-HVTMUDBSSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(3S,4R,6R)-3,4-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-pyran-5-id-2-yl]methanol;yttrium 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

[(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol
CID 59651572
CID 23401540
CID 23401540
[(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol
CID 147504742
[(3S,4R,6S)-3,4,5,6-tetramethyloxan-2-yl]methanol
CID 157375693
[(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol
CID 163662814
2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol
CID 22983061
(2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol
CID 168899706
[(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol
CID 11094654
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-3,5-dimethyloxane-2,4-diol
CID 165082057
(4-fluoro-3,5-dimethyloxolan-2-yl)methanol
CID 76558929
6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol
CID 76593810
[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]methanol;bis(nitric acid)
CID 88696106

Frequently Asked Questions

What is the IUPAC name of [(3S,4R,6R)-3,4-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-pyran-5-id-2-yl]methanol;yttrium?
The IUPAC name of [(3S,4R,6R)-3,4-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-pyran-5-id-2-yl]methanol;yttrium (CID 146746117) is [(3S,4R,6R)-3,4-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-pyran-5-id-2-yl]methanol;yttrium.
What is the SMILES notation for [(3S,4R,6R)-3,4-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-pyran-5-id-2-yl]methanol;yttrium?
The canonical SMILES for [(3S,4R,6R)-3,4-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-pyran-5-id-2-yl]methanol;yttrium is CC(C)[C@H]1[CH-][C@@H](C)[C@H](C)C(CO)O1.[Y].
What is the InChIKey of [(3S,4R,6R)-3,4-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-pyran-5-id-2-yl]methanol;yttrium?
The InChIKey is PJJHGUNVAZOTAG-HVTMUDBSSA-N. The full InChI is InChI=1S/C11H21O2.Y/c1-7(2)10-5-8(3)9(4)11(6-12)13-10;/h5,7-12H,6H2,1-4H3;/q-1;/t8-,9+,10-,11?;/m1./s1.
What are the key properties of [(3S,4R,6R)-3,4-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-pyran-5-id-2-yl]methanol;yttrium?
[(3S,4R,6R)-3,4-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-pyran-5-id-2-yl]methanol;yttrium has a molecular weight of 274.19 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R,6R)-3,4-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-pyran-5-id-2-yl]methanol;yttrium is sourced from PubChem (CID 146746117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).