4-(2,2-dimethylbutyl)-2-methylideneoxolane;bis(yttrium)

C11H19OY2- — CID 58763811

IUPAC4-(2,2-dimethylbutyl)-2-methylideneoxolane;bis(yttrium)
SMILESC=C1CC(CC(C)(C)[CH-]C)CO1.[Y].[Y]
InChIInChI=1S/C11H19O.2Y/c1-5-11(3,4)7-10-6-9(2)12-8-10;;/h5,10H,2,6-8H2,1,3-4H3;;/q-1;;
InChIKeyALAVZVKLQUIQOJ-UHFFFAOYSA-N
MW345.08 g/mol
LogP3.17
Rot. Bonds3

About 4-(2,2-dimethylbutyl)-2-methylideneoxolane;bis(yttrium)

4-(2,2-dimethylbutyl)-2-methylideneoxolane;bis(yttrium) (PubChem CID 58763811) has the molecular formula C11H19OY2- and a molecular weight of 345.08 g/mol. Its IUPAC name is 4-(2,2-dimethylbutyl)-2-methylideneoxolane;bis(yttrium).

Molecular Properties

Compound Name4-(2,2-dimethylbutyl)-2-methylideneoxolane;bis(yttrium)
PubChem CID58763811
Molecular FormulaC11H19OY2-
Molecular Weight345.08 g/mol
Exact Mass344.96
IUPAC Name4-(2,2-dimethylbutyl)-2-methylideneoxolane;bis(yttrium)
SMILESC=C1CC(CC(C)(C)[CH-]C)CO1.[Y].[Y]
InChIInChI=1S/C11H19O.2Y/c1-5-11(3,4)7-10-6-9(2)12-8-10;;/h5,10H,2,6-8H2,1,3-4H3;;/q-1;;
InChIKeyALAVZVKLQUIQOJ-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.08
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(2,2-dimethylbutyl)-2-methylideneoxolane;bis(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

3-Methylidene-2-oxaspiro[4.4]nonane
CID 135023324
3-Tert-butyl-5-methyl-2-methylideneoxolane
CID 58741998
2,3-Ditert-butyl-5-methylideneoxolane
CID 68259000
5-Methyl-2-methylidene-3-octyloxolane
CID 68347660
5-Methyl-2-methylidene-3-pentyloxolane
CID 68347662
3-Hexyl-2-methylideneoxolane
CID 68360261
3-Heptyl-2-methylideneoxolane
CID 68360287
3-Hexyl-5-methyl-2-methylideneoxolane
CID 88972233
(3R)-5-methyl-2-methylidene-3-pentyloxolane
CID 88972245
(3R,5S)-3-hexyl-5-methyl-2-methylideneoxolane
CID 88972251
(3R)-5-methyl-2-methylidene-3-octyloxolane
CID 88972252
(3R)-3-heptyl-5-methyl-2-methylideneoxolane
CID 89000838

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylbutyl)-2-methylideneoxolane;bis(yttrium)?
The IUPAC name of 4-(2,2-dimethylbutyl)-2-methylideneoxolane;bis(yttrium) (CID 58763811) is 4-(2,2-dimethylbutyl)-2-methylideneoxolane;bis(yttrium).
What is the SMILES notation for 4-(2,2-dimethylbutyl)-2-methylideneoxolane;bis(yttrium)?
The canonical SMILES for 4-(2,2-dimethylbutyl)-2-methylideneoxolane;bis(yttrium) is C=C1CC(CC(C)(C)[CH-]C)CO1.[Y].[Y].
What is the InChIKey of 4-(2,2-dimethylbutyl)-2-methylideneoxolane;bis(yttrium)?
The InChIKey is ALAVZVKLQUIQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O.2Y/c1-5-11(3,4)7-10-6-9(2)12-8-10;;/h5,10H,2,6-8H2,1,3-4H3;;/q-1;;.
What are the key properties of 4-(2,2-dimethylbutyl)-2-methylideneoxolane;bis(yttrium)?
4-(2,2-dimethylbutyl)-2-methylideneoxolane;bis(yttrium) has a molecular weight of 345.08 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylbutyl)-2-methylideneoxolane;bis(yttrium) is sourced from PubChem (CID 58763811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).