tris[cyclobutyl-(3,3-dimethylcyclobutyl)methoxy]alumane

C33H57AlO3 — CID 141281626

IUPACtris[cyclobutyl-(3,3-dimethylcyclobutyl)methoxy]alumane
SMILESCC1(C)CC(C(O[Al](OC(C2CCC2)C2CC(C)(C)C2)OC(C2CCC2)C2CC(C)(C)C2)C2CCC2)C1
InChIInChI=1S/3C11H19O.Al/c3*1-11(2)6-9(7-11)10(12)8-4-3-5-8;/h3*8-10H,3-7H2,1-2H3;/q3*-1;+3
InChIKeySZEBCXRVGUZDAO-UHFFFAOYSA-N
MW528.80 g/mol
LogP8.84
Rot. Bonds12

About tris[cyclobutyl-(3,3-dimethylcyclobutyl)methoxy]alumane

tris[cyclobutyl-(3,3-dimethylcyclobutyl)methoxy]alumane (PubChem CID 141281626) has the molecular formula C33H57AlO3 and a molecular weight of 528.80 g/mol. Its IUPAC name is tris[cyclobutyl-(3,3-dimethylcyclobutyl)methoxy]alumane.

Molecular Properties

Compound Nametris[cyclobutyl-(3,3-dimethylcyclobutyl)methoxy]alumane
PubChem CID141281626
Molecular FormulaC33H57AlO3
Molecular Weight528.80 g/mol
Exact Mass528.41
IUPAC Nametris[cyclobutyl-(3,3-dimethylcyclobutyl)methoxy]alumane
SMILESCC1(C)CC(C(O[Al](OC(C2CCC2)C2CC(C)(C)C2)OC(C2CCC2)C2CC(C)(C)C2)C2CCC2)C1
InChIInChI=1S/3C11H19O.Al/c3*1-11(2)6-9(7-11)10(12)8-4-3-5-8;/h3*8-10H,3-7H2,1-2H3;/q3*-1;+3
InChIKeySZEBCXRVGUZDAO-UHFFFAOYSA-N
XLogP8.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.80
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-bromoethyl)-1,1-dimethylcyclohexane
CID 66471069
N-[1-(3,3-dimethylcyclobutyl)ethyl]propan-2-amine
CID 90365867
1-cyclobutylpropane-1,2-diamine
CID 116932568
cyclobutyl-(2,2-dimethylcyclopropyl)methanol
CID 107005486
3-(1-chloropropyl)-1,1-dimethylcyclohexane
CID 79307494
5-chloro-N-(cyclobutylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 164649744
1-cyclobutyl-2-cyclopropyl-2-methoxyethanamine
CID 116722033
3-methyl-3-(1-propan-2-yloxyethyl)bicyclo[3.3.1]nonane
CID 126615138
3-(1-bromopropan-2-yl)-1,1-dimethylcyclohexane
CID 134862351
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
1-amino-1-cyclobutylpropan-2-ol
CID 55295141
(1R,2S)-1-amino-1-cyclobutylpropan-2-ol
CID 55295105

Frequently Asked Questions

What is the IUPAC name of tris[cyclobutyl-(3,3-dimethylcyclobutyl)methoxy]alumane?
The IUPAC name of tris[cyclobutyl-(3,3-dimethylcyclobutyl)methoxy]alumane (CID 141281626) is tris[cyclobutyl-(3,3-dimethylcyclobutyl)methoxy]alumane.
What is the SMILES notation for tris[cyclobutyl-(3,3-dimethylcyclobutyl)methoxy]alumane?
The canonical SMILES for tris[cyclobutyl-(3,3-dimethylcyclobutyl)methoxy]alumane is CC1(C)CC(C(O[Al](OC(C2CCC2)C2CC(C)(C)C2)OC(C2CCC2)C2CC(C)(C)C2)C2CCC2)C1.
What is the InChIKey of tris[cyclobutyl-(3,3-dimethylcyclobutyl)methoxy]alumane?
The InChIKey is SZEBCXRVGUZDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H19O.Al/c3*1-11(2)6-9(7-11)10(12)8-4-3-5-8;/h3*8-10H,3-7H2,1-2H3;/q3*-1;+3.
What are the key properties of tris[cyclobutyl-(3,3-dimethylcyclobutyl)methoxy]alumane?
tris[cyclobutyl-(3,3-dimethylcyclobutyl)methoxy]alumane has a molecular weight of 528.80 g/mol, XLogP of 8.84, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris[cyclobutyl-(3,3-dimethylcyclobutyl)methoxy]alumane is sourced from PubChem (CID 141281626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).