[(4S,6R)-6-[bis(2-methylpropyl)alumanyloxy]-2-phenyl-1,3-dioxan-4-yl]oxy-bis(2-methylpropyl)alumane

C26H46Al2O4 — CID 16687093

IUPAC[(4S,6R)-6-[bis(2-methylpropyl)alumanyloxy]-2-phenyl-1,3-dioxan-4-yl]oxy-bis(2-methylpropyl)alumane
SMILESCC(C)C[Al](CC(C)C)O[C@@H]1C[C@H](O[Al](CC(C)C)CC(C)C)OC(c2ccccc2)O1
InChIInChI=1S/C10H10O4.4C4H9.2Al/c11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7;4*1-4(2)3;;/h1-5,8-10H,6H2;4*4H,1H2,2-3H3;;/q-2;;;;;2*+1/t8-,9+,10?;;;;;;
InChIKeyCVCJVHJNMJRVEL-LTTGXDCBSA-N
MW476.61 g/mol
LogP7.41
Rot. Bonds13

About [(4S,6R)-6-[bis(2-methylpropyl)alumanyloxy]-2-phenyl-1,3-dioxan-4-yl]oxy-bis(2-methylpropyl)alumane

[(4S,6R)-6-[bis(2-methylpropyl)alumanyloxy]-2-phenyl-1,3-dioxan-4-yl]oxy-bis(2-methylpropyl)alumane (PubChem CID 16687093) has the molecular formula C26H46Al2O4 and a molecular weight of 476.61 g/mol. Its IUPAC name is [(4S,6R)-6-[bis(2-methylpropyl)alumanyloxy]-2-phenyl-1,3-dioxan-4-yl]oxy-bis(2-methylpropyl)alumane.

Molecular Properties

Compound Name[(4S,6R)-6-[bis(2-methylpropyl)alumanyloxy]-2-phenyl-1,3-dioxan-4-yl]oxy-bis(2-methylpropyl)alumane
PubChem CID16687093
Molecular FormulaC26H46Al2O4
Molecular Weight476.61 g/mol
Exact Mass476.30
IUPAC Name[(4S,6R)-6-[bis(2-methylpropyl)alumanyloxy]-2-phenyl-1,3-dioxan-4-yl]oxy-bis(2-methylpropyl)alumane
SMILESCC(C)C[Al](CC(C)C)O[C@@H]1C[C@H](O[Al](CC(C)C)CC(C)C)OC(c2ccccc2)O1
InChIInChI=1S/C10H10O4.4C4H9.2Al/c11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7;4*1-4(2)3;;/h1-5,8-10H,6H2;4*4H,1H2,2-3H3;;/q-2;;;;;2*+1/t8-,9+,10?;;;;;;
InChIKeyCVCJVHJNMJRVEL-LTTGXDCBSA-N
XLogP7.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.61
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4S,6R)-6-[bis(2-methylpropyl)alumanyloxy]-2-phenyl-1,3-dioxan-4-yl]oxy-bis(2-methylpropyl)alumane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4S,6R)-6-[bis(2-methylpropyl)alumanyloxy]-2-phenyl-1,3-dioxan-4-yl]oxy-bis(2-methylpropyl)alumane?
The IUPAC name of [(4S,6R)-6-[bis(2-methylpropyl)alumanyloxy]-2-phenyl-1,3-dioxan-4-yl]oxy-bis(2-methylpropyl)alumane (CID 16687093) is [(4S,6R)-6-[bis(2-methylpropyl)alumanyloxy]-2-phenyl-1,3-dioxan-4-yl]oxy-bis(2-methylpropyl)alumane.
What is the SMILES notation for [(4S,6R)-6-[bis(2-methylpropyl)alumanyloxy]-2-phenyl-1,3-dioxan-4-yl]oxy-bis(2-methylpropyl)alumane?
The canonical SMILES for [(4S,6R)-6-[bis(2-methylpropyl)alumanyloxy]-2-phenyl-1,3-dioxan-4-yl]oxy-bis(2-methylpropyl)alumane is CC(C)C[Al](CC(C)C)O[C@@H]1C[C@H](O[Al](CC(C)C)CC(C)C)OC(c2ccccc2)O1.
What is the InChIKey of [(4S,6R)-6-[bis(2-methylpropyl)alumanyloxy]-2-phenyl-1,3-dioxan-4-yl]oxy-bis(2-methylpropyl)alumane?
The InChIKey is CVCJVHJNMJRVEL-LTTGXDCBSA-N. The full InChI is InChI=1S/C10H10O4.4C4H9.2Al/c11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7;4*1-4(2)3;;/h1-5,8-10H,6H2;4*4H,1H2,2-3H3;;/q-2;;;;;2*+1/t8-,9+,10?;;;;;;.
What are the key properties of [(4S,6R)-6-[bis(2-methylpropyl)alumanyloxy]-2-phenyl-1,3-dioxan-4-yl]oxy-bis(2-methylpropyl)alumane?
[(4S,6R)-6-[bis(2-methylpropyl)alumanyloxy]-2-phenyl-1,3-dioxan-4-yl]oxy-bis(2-methylpropyl)alumane has a molecular weight of 476.61 g/mol, XLogP of 7.41, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,6R)-6-[bis(2-methylpropyl)alumanyloxy]-2-phenyl-1,3-dioxan-4-yl]oxy-bis(2-methylpropyl)alumane is sourced from PubChem (CID 16687093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).