1-hexoxybutoxy(dihexyl)alumane

C22H47AlO2 — CID 139905130

IUPAC1-hexoxybutoxy(dihexyl)alumane
SMILESCCCCCCOC(CCC)O[Al](CCCCCC)CCCCCC
InChIInChI=1S/C10H21O2.2C6H13.Al/c1-3-5-6-7-9-12-10(11)8-4-2;2*1-3-5-6-4-2;/h10H,3-9H2,1-2H3;2*1,3-6H2,2H3;/q-1;;;+1
InChIKeyOLLPYVTWIDPEQC-UHFFFAOYSA-N
MW370.60 g/mol
LogP7.88
Rot. Bonds20

About 1-hexoxybutoxy(dihexyl)alumane

1-hexoxybutoxy(dihexyl)alumane (PubChem CID 139905130) has the molecular formula C22H47AlO2 and a molecular weight of 370.60 g/mol. Its IUPAC name is 1-hexoxybutoxy(dihexyl)alumane.

Molecular Properties

Compound Name1-hexoxybutoxy(dihexyl)alumane
PubChem CID139905130
Molecular FormulaC22H47AlO2
Molecular Weight370.60 g/mol
Exact Mass370.34
IUPAC Name1-hexoxybutoxy(dihexyl)alumane
SMILESCCCCCCOC(CCC)O[Al](CCCCCC)CCCCCC
InChIInChI=1S/C10H21O2.2C6H13.Al/c1-3-5-6-7-9-12-10(11)8-4-2;2*1-3-5-6-4-2;/h10H,3-9H2,1-2H3;2*1,3-6H2,2H3;/q-1;;;+1
InChIKeyOLLPYVTWIDPEQC-UHFFFAOYSA-N
XLogP7.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.60
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dihexyl(1-methoxybutoxy)alumane
CID 139905179
diethyl(1-octoxypropoxy)alumane
CID 139905167
bis(2-methylpropyl)-(1-octoxypropoxy)alumane
CID 139905020
lithium 1-undecoxybutyl sulfate
CID 88642702
1,1-dibutoxyoctane
CID 54557001
1-butoxy-1-(1-butoxybutoxy)butane
CID 121333025
1-(4-methyl-1-nonoxypentoxy)nonane
CID 168756191
1-(1-propoxypropoxy)hexane
CID 89482622
6-methyl-1,1-dioctoxyheptane
CID 171428766
4,4-di(tetradecoxy)butan-1-amine
CID 87630255
1-(3,3,3-trifluoro-1-heptoxypropoxy)heptane
CID 141447005
4,4-dioctadecoxybutan-1-amine
CID 87498240

Frequently Asked Questions

What is the IUPAC name of 1-hexoxybutoxy(dihexyl)alumane?
The IUPAC name of 1-hexoxybutoxy(dihexyl)alumane (CID 139905130) is 1-hexoxybutoxy(dihexyl)alumane.
What is the SMILES notation for 1-hexoxybutoxy(dihexyl)alumane?
The canonical SMILES for 1-hexoxybutoxy(dihexyl)alumane is CCCCCCOC(CCC)O[Al](CCCCCC)CCCCCC.
What is the InChIKey of 1-hexoxybutoxy(dihexyl)alumane?
The InChIKey is OLLPYVTWIDPEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O2.2C6H13.Al/c1-3-5-6-7-9-12-10(11)8-4-2;2*1-3-5-6-4-2;/h10H,3-9H2,1-2H3;2*1,3-6H2,2H3;/q-1;;;+1.
What are the key properties of 1-hexoxybutoxy(dihexyl)alumane?
1-hexoxybutoxy(dihexyl)alumane has a molecular weight of 370.60 g/mol, XLogP of 7.88, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxybutoxy(dihexyl)alumane is sourced from PubChem (CID 139905130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).