alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane

C10H25AlO3 — CID 175344436

IUPACalumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane
SMILESCCOC(C)(OC(C)C)OC(C)C.[AlH3]
InChIInChI=1S/C10H22O3.Al.3H/c1-7-11-10(6,12-8(2)3)13-9(4)5;;;;/h8-9H,7H2,1-6H3;;;;
InChIKeyDAJZRBGCLCBLHF-UHFFFAOYSA-N
MW220.29 g/mol
LogP1.36
Rot. Bonds6

About alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane

alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane (PubChem CID 175344436) has the molecular formula C10H25AlO3 and a molecular weight of 220.29 g/mol. Its IUPAC name is alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane.

Molecular Properties

Compound Namealumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane
PubChem CID175344436
Molecular FormulaC10H25AlO3
Molecular Weight220.29 g/mol
Exact Mass220.16
IUPAC Namealumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane
SMILESCCOC(C)(OC(C)C)OC(C)C.[AlH3]
InChIInChI=1S/C10H22O3.Al.3H/c1-7-11-10(6,12-8(2)3)13-9(4)5;;;;/h8-9H,7H2,1-6H3;;;;
InChIKeyDAJZRBGCLCBLHF-UHFFFAOYSA-N
XLogP1.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane?
The IUPAC name of alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane (CID 175344436) is alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane.
What is the SMILES notation for alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane?
The canonical SMILES for alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane is CCOC(C)(OC(C)C)OC(C)C.[AlH3].
What is the InChIKey of alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane?
The InChIKey is DAJZRBGCLCBLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3.Al.3H/c1-7-11-10(6,12-8(2)3)13-9(4)5;;;;/h8-9H,7H2,1-6H3;;;;.
What are the key properties of alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane?
alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane has a molecular weight of 220.29 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane is sourced from PubChem (CID 175344436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).