hexan-3-yloxyalumane

C6H15AlO — CID 173043505

IUPAChexan-3-yloxyalumane
SMILESCCCC(CC)O[AlH2]
InChIInChI=1S/C6H13O.Al.2H/c1-3-5-6(7)4-2;;;/h6H,3-5H2,1-2H3;;;/q-1;+1;;
InChIKeyFJRWCBDWAMUCHB-UHFFFAOYSA-N
MW130.17 g/mol
LogP1.13
Rot. Bonds4

About hexan-3-yloxyalumane

hexan-3-yloxyalumane (PubChem CID 173043505) has the molecular formula C6H15AlO and a molecular weight of 130.17 g/mol. Its IUPAC name is hexan-3-yloxyalumane.

Molecular Properties

Compound Namehexan-3-yloxyalumane
PubChem CID173043505
Molecular FormulaC6H15AlO
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Namehexan-3-yloxyalumane
SMILESCCCC(CC)O[AlH2]
InChIInChI=1S/C6H13O.Al.2H/c1-3-5-6(7)4-2;;;/h6H,3-5H2,1-2H3;;;/q-1;+1;;
InChIKeyFJRWCBDWAMUCHB-UHFFFAOYSA-N
XLogP1.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

hexan-3-yloxy(oxo)phosphanium
CID 123426808
trihexan-3-yl phosphite
CID 88792462
3-(1-methoxyethoxy)hexane
CID 145051636
3-hexan-3-yloxyhexane;trimethoxysilane
CID 175116578
trihexan-3-yl phosphate
CID 22497582
dihexan-3-yl sulfate
CID 19695163
hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane
CID 123700274
2-pentan-3-yloxypentane
CID 91256227
hexan-3-yl carbonofluoridate
CID 175528243
hexan-3-yl hydrogen sulfite
CID 57267799
cyanic acid;3-methoxyhexane
CID 88754292
dihexan-3-yl methanedisulfonate
CID 89482939

Frequently Asked Questions

What is the IUPAC name of hexan-3-yloxyalumane?
The IUPAC name of hexan-3-yloxyalumane (CID 173043505) is hexan-3-yloxyalumane.
What is the SMILES notation for hexan-3-yloxyalumane?
The canonical SMILES for hexan-3-yloxyalumane is CCCC(CC)O[AlH2].
What is the InChIKey of hexan-3-yloxyalumane?
The InChIKey is FJRWCBDWAMUCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O.Al.2H/c1-3-5-6(7)4-2;;;/h6H,3-5H2,1-2H3;;;/q-1;+1;;.
What are the key properties of hexan-3-yloxyalumane?
hexan-3-yloxyalumane has a molecular weight of 130.17 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-3-yloxyalumane is sourced from PubChem (CID 173043505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).