butoxy-di(propan-2-yloxy)alumane

C10H23AlO3 — CID 16703414

IUPACbutoxy-di(propan-2-yloxy)alumane
SMILESCCCCO[Al](OC(C)C)OC(C)C
InChIInChI=1S/C4H9O.2C3H7O.Al/c1-2-3-4-5;2*1-3(2)4;/h2-4H2,1H3;2*3H,1-2H3;/q3*-1;+3
InChIKeyRYDRWIKKHPRTLV-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.64
Rot. Bonds8

About butoxy-di(propan-2-yloxy)alumane

butoxy-di(propan-2-yloxy)alumane (PubChem CID 16703414) has the molecular formula C10H23AlO3 and a molecular weight of 218.27 g/mol. Its IUPAC name is butoxy-di(propan-2-yloxy)alumane.

Molecular Properties

Compound Namebutoxy-di(propan-2-yloxy)alumane
PubChem CID16703414
Molecular FormulaC10H23AlO3
Molecular Weight218.27 g/mol
Exact Mass218.15
IUPAC Namebutoxy-di(propan-2-yloxy)alumane
SMILESCCCCO[Al](OC(C)C)OC(C)C
InChIInChI=1S/C4H9O.2C3H7O.Al/c1-2-3-4-5;2*1-3(2)4;/h2-4H2,1H3;2*3H,1-2H3;/q3*-1;+3
InChIKeyRYDRWIKKHPRTLV-UHFFFAOYSA-N
XLogP2.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 11143
CID 11143
CID 6451513
CID 6451513
CID 61289
CID 61289
CID 16684880
CID 16684880
CID 16685055
CID 16685055
CID 16685157
CID 16685157
CID 16697137
CID 16697137
CID 21502205
CID 21502205
CID 16684111
CID 16684111
CID 141565075
CID 141565075
CID 134903335
CID 134903335
CID 134992480
CID 134992480

Frequently Asked Questions

What is the IUPAC name of butoxy-di(propan-2-yloxy)alumane?
The IUPAC name of butoxy-di(propan-2-yloxy)alumane (CID 16703414) is butoxy-di(propan-2-yloxy)alumane.
What is the SMILES notation for butoxy-di(propan-2-yloxy)alumane?
The canonical SMILES for butoxy-di(propan-2-yloxy)alumane is CCCCO[Al](OC(C)C)OC(C)C.
What is the InChIKey of butoxy-di(propan-2-yloxy)alumane?
The InChIKey is RYDRWIKKHPRTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.2C3H7O.Al/c1-2-3-4-5;2*1-3(2)4;/h2-4H2,1H3;2*3H,1-2H3;/q3*-1;+3.
What are the key properties of butoxy-di(propan-2-yloxy)alumane?
butoxy-di(propan-2-yloxy)alumane has a molecular weight of 218.27 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-di(propan-2-yloxy)alumane is sourced from PubChem (CID 16703414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).