bis(2-methylpropyl)-(1-phenoxyethoxy)alumane

C16H27AlO2 — CID 139905308

IUPACbis(2-methylpropyl)-(1-phenoxyethoxy)alumane
SMILESCC(C)C[Al](CC(C)C)OC(C)Oc1ccccc1
InChIInChI=1S/C8H9O2.2C4H9.Al/c1-7(9)10-8-5-3-2-4-6-8;2*1-4(2)3;/h2-7H,1H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyGHFQEKBGAXMECO-UHFFFAOYSA-N
MW278.37 g/mol
LogP4.73
Rot. Bonds8

About bis(2-methylpropyl)-(1-phenoxyethoxy)alumane

bis(2-methylpropyl)-(1-phenoxyethoxy)alumane (PubChem CID 139905308) has the molecular formula C16H27AlO2 and a molecular weight of 278.37 g/mol. Its IUPAC name is bis(2-methylpropyl)-(1-phenoxyethoxy)alumane.

Molecular Properties

Compound Namebis(2-methylpropyl)-(1-phenoxyethoxy)alumane
PubChem CID139905308
Molecular FormulaC16H27AlO2
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Namebis(2-methylpropyl)-(1-phenoxyethoxy)alumane
SMILESCC(C)C[Al](CC(C)C)OC(C)Oc1ccccc1
InChIInChI=1S/C8H9O2.2C4H9.Al/c1-7(9)10-8-5-3-2-4-6-8;2*1-4(2)3;/h2-7H,1H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyGHFQEKBGAXMECO-UHFFFAOYSA-N
XLogP4.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze bis(2-methylpropyl)-(1-phenoxyethoxy)alumane 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

1-methoxyethoxybenzene
CID 18188895
1-(1-phenoxyethylperoxy)ethoxybenzene
CID 175523991
1-(2-bromoethoxy)ethoxybenzene
CID 69208548
tris[4-(1-phenoxyethoxy)phenyl]sulfanium
CID 139829592
3-methylbut-3-en-2-yloxybenzene
CID 564925
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
ethane;1-ethoxyethoxybenzene;phenol;propane
CID 162122955
4,4-dimethylhexan-2-yloxybenzene
CID 143103780
diethyl(1-phenoxypropoxy)alumane
CID 139905359
1-[2-[2,2-bis(1-phenoxyethoxymethyl)butoxymethyl]-2-(1-phenoxyethoxymethyl)butoxy]ethoxybenzene
CID 139547150
[(1R)-1-fluoroethoxy]benzene
CID 175733278
1-phenoxyethanol
CID 66611531

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)-(1-phenoxyethoxy)alumane?
The IUPAC name of bis(2-methylpropyl)-(1-phenoxyethoxy)alumane (CID 139905308) is bis(2-methylpropyl)-(1-phenoxyethoxy)alumane.
What is the SMILES notation for bis(2-methylpropyl)-(1-phenoxyethoxy)alumane?
The canonical SMILES for bis(2-methylpropyl)-(1-phenoxyethoxy)alumane is CC(C)C[Al](CC(C)C)OC(C)Oc1ccccc1.
What is the InChIKey of bis(2-methylpropyl)-(1-phenoxyethoxy)alumane?
The InChIKey is GHFQEKBGAXMECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O2.2C4H9.Al/c1-7(9)10-8-5-3-2-4-6-8;2*1-4(2)3;/h2-7H,1H3;2*4H,1H2,2-3H3;/q-1;;;+1.
What are the key properties of bis(2-methylpropyl)-(1-phenoxyethoxy)alumane?
bis(2-methylpropyl)-(1-phenoxyethoxy)alumane has a molecular weight of 278.37 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)-(1-phenoxyethoxy)alumane is sourced from PubChem (CID 139905308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).