(2,6-dibutyl-4-methylphenoxy)alumane

C15H25AlO — CID 175492073

IUPAC(2,6-dibutyl-4-methylphenoxy)alumane
SMILESCCCCc1cc(C)cc(CCCC)c1O[AlH2]
InChIInChI=1S/C15H24O.Al.2H/c1-4-6-8-13-10-12(3)11-14(15(13)16)9-7-5-2;;;/h10-11,16H,4-9H2,1-3H3;;;/q;+1;;/p-1
InChIKeyOZNWLGRFHLJVQK-UHFFFAOYSA-M
MW248.35 g/mol
LogP3.61
Rot. Bonds7

About (2,6-dibutyl-4-methylphenoxy)alumane

(2,6-dibutyl-4-methylphenoxy)alumane (PubChem CID 175492073) has the molecular formula C15H25AlO and a molecular weight of 248.35 g/mol. Its IUPAC name is (2,6-dibutyl-4-methylphenoxy)alumane.

Molecular Properties

Compound Name(2,6-dibutyl-4-methylphenoxy)alumane
PubChem CID175492073
Molecular FormulaC15H25AlO
Molecular Weight248.35 g/mol
Exact Mass248.17
IUPAC Name(2,6-dibutyl-4-methylphenoxy)alumane
SMILESCCCCc1cc(C)cc(CCCC)c1O[AlH2]
InChIInChI=1S/C15H24O.Al.2H/c1-4-6-8-13-10-12(3)11-14(15(13)16)9-7-5-2;;;/h10-11,16H,4-9H2,1-3H3;;;/q;+1;;/p-1
InChIKeyOZNWLGRFHLJVQK-UHFFFAOYSA-M
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dibutyl-5-methylphenol
CID 151375054
1,3-dibutyl-2-diethoxyphosphoryl-5-methylbenzene
CID 174759505
2-butyl-6-[(3-butyl-2-hydroxy-5-methylphenyl)disulfanyl]-4-methylphenol
CID 139889373
2-butyl-1,3,5-trimethylbenzene
CID 527298
(3-butyl-2-methoxy-5-methylphenyl)-bis(2-methoxyphenyl)phosphane
CID 167104013
1-heptyl-2,3,5-trimethylbenzene
CID 90943000
2-butyl-6-(dimethylamino)-4-methylphenol
CID 67848119
N-[(2-butyl-4-methylphenyl)methyl]ethanamine
CID 106659184
2-butyl-1,4-dimethylbenzene;ethane;ethene
CID 177226937
2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol
CID 20661068
1-(3-bromopropyl)-2-ethoxy-3,5-dimethylbenzene
CID 83942023
2,6-bis[1-(3,5-dibutyl-4-methoxyphenyl)ethenyl]-4-methylaniline
CID 155335557

Frequently Asked Questions

What is the IUPAC name of (2,6-dibutyl-4-methylphenoxy)alumane?
The IUPAC name of (2,6-dibutyl-4-methylphenoxy)alumane (CID 175492073) is (2,6-dibutyl-4-methylphenoxy)alumane.
What is the SMILES notation for (2,6-dibutyl-4-methylphenoxy)alumane?
The canonical SMILES for (2,6-dibutyl-4-methylphenoxy)alumane is CCCCc1cc(C)cc(CCCC)c1O[AlH2].
What is the InChIKey of (2,6-dibutyl-4-methylphenoxy)alumane?
The InChIKey is OZNWLGRFHLJVQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H24O.Al.2H/c1-4-6-8-13-10-12(3)11-14(15(13)16)9-7-5-2;;;/h10-11,16H,4-9H2,1-3H3;;;/q;+1;;/p-1.
What are the key properties of (2,6-dibutyl-4-methylphenoxy)alumane?
(2,6-dibutyl-4-methylphenoxy)alumane has a molecular weight of 248.35 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dibutyl-4-methylphenoxy)alumane is sourced from PubChem (CID 175492073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).