CID 87703259

C4H11AlCl2O — CID 87703259

IUPAC—
SMILESCCCCO[Al].Cl.Cl
InChIInChI=1S/C4H9O.Al.2ClH/c1-2-3-4-5;;;/h2-4H2,1H3;;2*1H/q-1;+1;;
InChIKeyMFVPJNOWQGJQKJ-UHFFFAOYSA-N
MW173.02 g/mol
LogP1.73
Rot. Bonds3

About CID 87703259

CID 87703259 (PubChem CID 87703259) has the molecular formula C4H11AlCl2O and a molecular weight of 173.02 g/mol.

Molecular Properties

Compound NameCID 87703259
PubChem CID87703259
Molecular FormulaC4H11AlCl2O
Molecular Weight173.02 g/mol
Exact Mass172.00
IUPAC Name—
SMILESCCCCO[Al].Cl.Cl
InChIInChI=1S/C4H9O.Al.2ClH/c1-2-3-4-5;;;/h2-4H2,1H3;;2*1H/q-1;+1;;
InChIKeyMFVPJNOWQGJQKJ-UHFFFAOYSA-N
XLogP1.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.02
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Aluminium chloride butan-1-olate (1/2/1)
CID 16692734
Butoxy(dimethyl)alumane
CID 16697704
Butoxyaluminium hydride
CID 87196395
Butan-1-olate;trichlorotitanium(1+)
CID 14420830
Dichloro(pentoxy)alumane
CID 16687579
Butoxyaluminum(2+);hydride
CID 18676810
Ethyl(propoxy)alumanylium chloride
CID 18997296
Pentoxyaluminum(2+) dichloride
CID 19936988
Dipropoxyalumanylium chloride
CID 20295756
Butoxy-dichloro-methylstannane
CID 20325212
2-Methylpropoxyaluminum(2+) dichloride
CID 20441803
Butoxy(oxo)alumane
CID 21161651

Frequently Asked Questions

What is the IUPAC name of CID 87703259?
The IUPAC name of CID 87703259 (CID 87703259) is not available.
What is the SMILES notation for CID 87703259?
The canonical SMILES for CID 87703259 is CCCCO[Al].Cl.Cl.
What is the InChIKey of CID 87703259?
The InChIKey is MFVPJNOWQGJQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.Al.2ClH/c1-2-3-4-5;;;/h2-4H2,1H3;;2*1H/q-1;+1;;.
What are the key properties of CID 87703259?
CID 87703259 has a molecular weight of 173.02 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87703259 is sourced from PubChem (CID 87703259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).