butoxy-bis(2,6-ditert-butylphenoxy)alumane

C32H51AlO3 — CID 141314384

IUPACbutoxy-bis(2,6-ditert-butylphenoxy)alumane
SMILESCCCCO[Al](Oc1c(C(C)(C)C)cccc1C(C)(C)C)Oc1c(C(C)(C)C)cccc1C(C)(C)C
InChIInChI=1S/2C14H22O.C4H9O.Al/c2*1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;1-2-3-4-5;/h2*7-9,15H,1-6H3;2-4H2,1H3;/q;;-1;+3/p-2
InChIKeyDMKBSTMOQZJTBV-UHFFFAOYSA-L
MW510.74 g/mol
LogP9.14
Rot. Bonds8

About butoxy-bis(2,6-ditert-butylphenoxy)alumane

butoxy-bis(2,6-ditert-butylphenoxy)alumane (PubChem CID 141314384) has the molecular formula C32H51AlO3 and a molecular weight of 510.74 g/mol. Its IUPAC name is butoxy-bis(2,6-ditert-butylphenoxy)alumane.

Molecular Properties

Compound Namebutoxy-bis(2,6-ditert-butylphenoxy)alumane
PubChem CID141314384
Molecular FormulaC32H51AlO3
Molecular Weight510.74 g/mol
Exact Mass510.37
IUPAC Namebutoxy-bis(2,6-ditert-butylphenoxy)alumane
SMILESCCCCO[Al](Oc1c(C(C)(C)C)cccc1C(C)(C)C)Oc1c(C(C)(C)C)cccc1C(C)(C)C
InChIInChI=1S/2C14H22O.C4H9O.Al/c2*1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;1-2-3-4-5;/h2*7-9,15H,1-6H3;2-4H2,1H3;/q;;-1;+3/p-2
InChIKeyDMKBSTMOQZJTBV-UHFFFAOYSA-L
XLogP9.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.74
LogP ≤ 59.14
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

tetrabutyl-(2,6-ditert-butylphenoxy)-λ5-phosphane
CID 140735561
2-butoxy-3-tert-butylbenzaldehyde
CID 88941545
(2,6-ditert-butylphenyl) octadecanoate
CID 174610698
1-tert-butyl-2-heptoxybenzene
CID 64763672
1,3-ditert-butyl-2-tridecylbenzene
CID 56637291
butyl bis(2-tert-butylphenyl) phosphite
CID 141233548
5-O-(2-tert-butyl-6-methylphenyl) 1-O-hexyl pentanedioate
CID 91708960
O-(2-tert-butyl-6-propylphenyl)hydroxylamine
CID 155118579
butyl 2-tert-butylbenzenecarboperoxoate
CID 175803768
(2-butoxy-3,5-ditert-butylphenyl)boronic acid
CID 22345412
1-tert-butyl-7-methoxynaphthalene
CID 608110
1,8-ditert-butyl-9-ethylcarbazole
CID 142290146

Frequently Asked Questions

What is the IUPAC name of butoxy-bis(2,6-ditert-butylphenoxy)alumane?
The IUPAC name of butoxy-bis(2,6-ditert-butylphenoxy)alumane (CID 141314384) is butoxy-bis(2,6-ditert-butylphenoxy)alumane.
What is the SMILES notation for butoxy-bis(2,6-ditert-butylphenoxy)alumane?
The canonical SMILES for butoxy-bis(2,6-ditert-butylphenoxy)alumane is CCCCO[Al](Oc1c(C(C)(C)C)cccc1C(C)(C)C)Oc1c(C(C)(C)C)cccc1C(C)(C)C.
What is the InChIKey of butoxy-bis(2,6-ditert-butylphenoxy)alumane?
The InChIKey is DMKBSTMOQZJTBV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H22O.C4H9O.Al/c2*1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;1-2-3-4-5;/h2*7-9,15H,1-6H3;2-4H2,1H3;/q;;-1;+3/p-2.
What are the key properties of butoxy-bis(2,6-ditert-butylphenoxy)alumane?
butoxy-bis(2,6-ditert-butylphenoxy)alumane has a molecular weight of 510.74 g/mol, XLogP of 9.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-bis(2,6-ditert-butylphenoxy)alumane is sourced from PubChem (CID 141314384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).