2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid;yttrium

C10H18O4Y — CID 59996493

IUPAC2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid;yttrium
SMILESCC[C@@H]1C[C@H](CC(=O)O)OC(C)(C)O1.[Y]
InChIInChI=1S/C10H18O4.Y/c1-4-7-5-8(6-9(11)12)14-10(2,3)13-7;/h7-8H,4-6H2,1-3H3,(H,11,12);/t7-,8-;/m1./s1
InChIKeyWRUVDJFKRZRRDN-SCLLHFNJSA-N
MW291.16 g/mol
LogP1.78
Rot. Bonds3

About 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid;yttrium

2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid;yttrium (PubChem CID 59996493) has the molecular formula C10H18O4Y and a molecular weight of 291.16 g/mol. Its IUPAC name is 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid;yttrium.

Molecular Properties

Compound Name2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid;yttrium
PubChem CID59996493
Molecular FormulaC10H18O4Y
Molecular Weight291.16 g/mol
Exact Mass291.03
IUPAC Name2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid;yttrium
SMILESCC[C@@H]1C[C@H](CC(=O)O)OC(C)(C)O1.[Y]
InChIInChI=1S/C10H18O4.Y/c1-4-7-5-8(6-9(11)12)14-10(2,3)13-7;/h7-8H,4-6H2,1-3H3,(H,11,12);/t7-,8-;/m1./s1
InChIKeyWRUVDJFKRZRRDN-SCLLHFNJSA-N
XLogP1.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid;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

Methyl 2-(4-hydroxyoxan-2-yl)acetate
CID 137944546
(4S,6S)-6-[(1S,2R)-1,2-Dihydroxybutyl]-4-hydroxy-4-methoxytetrahydro-2H-pyran-2-one
CID 132525535
Passifloricin C
CID 10553462
Passifloricin B
CID 10575881
(5R,7R,9R)-7,9-dihydroxy-5-decanolide
CID 132501453
(4R,6R)-4-hydroxy-6-[(2R,4S,6S)-2,4,6-trihydroxyhenicosyl]oxan-2-one
CID 162864242
(4S,6S)-4-hydroxy-6-[(2S)-2-hydroxypropyl]oxan-2-one
CID 162962204
[(2R,4S,6S)-4,6-dihydroxy-1-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]henicosan-2-yl] acetate
CID 163037230
4-Hydroxy-6-(2-hydroxypropyl)oxan-2-one
CID 5316812
Tert-butyl 2-(2-hydroxyoxan-2-yl)acetate
CID 10082029
isopropyl 2-[(4R,6S)-6-hydroxymethyl-2,2-dimethyl-1,3-dioxan4-yl}acetate
CID 67000050
Ethyl 2-[(4R,6S)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-YL]acetate
CID 56846281

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid;yttrium?
The IUPAC name of 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid;yttrium (CID 59996493) is 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid;yttrium.
What is the SMILES notation for 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid;yttrium?
The canonical SMILES for 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid;yttrium is CC[C@@H]1C[C@H](CC(=O)O)OC(C)(C)O1.[Y].
What is the InChIKey of 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid;yttrium?
The InChIKey is WRUVDJFKRZRRDN-SCLLHFNJSA-N. The full InChI is InChI=1S/C10H18O4.Y/c1-4-7-5-8(6-9(11)12)14-10(2,3)13-7;/h7-8H,4-6H2,1-3H3,(H,11,12);/t7-,8-;/m1./s1.
What are the key properties of 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid;yttrium?
2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid;yttrium has a molecular weight of 291.16 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,6R)-6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid;yttrium is sourced from PubChem (CID 59996493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).