chloro(oxan-2-yl)alumane

C5H10AlClO — CID 173043592

IUPACchloro(oxan-2-yl)alumane
SMILESCl[AlH]C1CCCCO1
InChIInChI=1S/C5H9O.Al.ClH.H/c1-2-4-6-5-3-1;;;/h4H,1-3,5H2;;1H;/q;+1;;/p-1
InChIKeyJLDUPGWWJFBAGO-UHFFFAOYSA-M
MW148.57 g/mol
LogP1.10
Rot. Bonds1

About chloro(oxan-2-yl)alumane

chloro(oxan-2-yl)alumane (PubChem CID 173043592) has the molecular formula C5H10AlClO and a molecular weight of 148.57 g/mol. Its IUPAC name is chloro(oxan-2-yl)alumane.

Molecular Properties

Compound Namechloro(oxan-2-yl)alumane
PubChem CID173043592
Molecular FormulaC5H10AlClO
Molecular Weight148.57 g/mol
Exact Mass148.02
IUPAC Namechloro(oxan-2-yl)alumane
SMILESCl[AlH]C1CCCCO1
InChIInChI=1S/C5H9O.Al.ClH.H/c1-2-4-6-5-3-1;;;/h4H,1-3,5H2;;1H;/q;+1;;/p-1
InChIKeyJLDUPGWWJFBAGO-UHFFFAOYSA-M
XLogP1.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.57
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

butyl(oxan-2-yl)alumane
CID 173023766
(2S)-2-(fluoromethyl)oxane
CID 126712338
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CID 59102179
cobalt(3+);oxane-2-thiolate
CID 156663958
2-(oxan-2-ylmethyl)oxane
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2-methyloxane;hydrochloride
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3-fluorooxepane
CID 118248166
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
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N-ethyl-N-propyloxan-2-amine
CID 90739816
N-butyl-N-propyloxan-2-amine
CID 91513495
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
oxan-2-yl(sulfanylidene)silane
CID 173279385

Frequently Asked Questions

What is the IUPAC name of chloro(oxan-2-yl)alumane?
The IUPAC name of chloro(oxan-2-yl)alumane (CID 173043592) is chloro(oxan-2-yl)alumane.
What is the SMILES notation for chloro(oxan-2-yl)alumane?
The canonical SMILES for chloro(oxan-2-yl)alumane is Cl[AlH]C1CCCCO1.
What is the InChIKey of chloro(oxan-2-yl)alumane?
The InChIKey is JLDUPGWWJFBAGO-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9O.Al.ClH.H/c1-2-4-6-5-3-1;;;/h4H,1-3,5H2;;1H;/q;+1;;/p-1.
What are the key properties of chloro(oxan-2-yl)alumane?
chloro(oxan-2-yl)alumane has a molecular weight of 148.57 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(oxan-2-yl)alumane is sourced from PubChem (CID 173043592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).