CID 88751239

C4H7AlCl2O — CID 88751239

IUPAC—
SMILES[Al]OCCCC(Cl)Cl
InChIInChI=1S/C4H7Cl2O.Al/c5-4(6)2-1-3-7;/h4H,1-3H2;/q-1;+1
InChIKeyHOOYRIBRDGKOEJ-UHFFFAOYSA-N
MW168.99 g/mol
LogP1.67
Rot. Bonds4

About CID 88751239

CID 88751239 (PubChem CID 88751239) has the molecular formula C4H7AlCl2O and a molecular weight of 168.99 g/mol.

Molecular Properties

Compound NameCID 88751239
PubChem CID88751239
Molecular FormulaC4H7AlCl2O
Molecular Weight168.99 g/mol
Exact Mass167.97
IUPAC Name—
SMILES[Al]OCCCC(Cl)Cl
InChIInChI=1S/C4H7Cl2O.Al/c5-4(6)2-1-3-7;/h4H,1-3H2;/q-1;+1
InChIKeyHOOYRIBRDGKOEJ-UHFFFAOYSA-N
XLogP1.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.99
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,6,6-tetrachlorohexane
CID 87407260
1,1-dichloro-4-fluorobutane
CID 22321169
6,6-dichlorohexoxy(dipropoxy)silane
CID 173438179
1,1-dichloropentane;gallane
CID 174452216
1,5,5-trichloropentan-1-amine
CID 57159022
CID 170843671
CID 170843671
5,5-dichloropentyl acetate
CID 57290861
CID 76519424
CID 76519424
1,1-dichloroheptane
CID 13184
5,5-dichloropentanoyl 5,5-dichloropentanoate
CID 139894878
7,7-dichloroheptoxybenzene
CID 90974620
2-(5,5-dichloropentyl)propane-1,3-diol
CID 18674567

Frequently Asked Questions

What is the IUPAC name of CID 88751239?
The IUPAC name of CID 88751239 (CID 88751239) is not available.
What is the SMILES notation for CID 88751239?
The canonical SMILES for CID 88751239 is [Al]OCCCC(Cl)Cl.
What is the InChIKey of CID 88751239?
The InChIKey is HOOYRIBRDGKOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2O.Al/c5-4(6)2-1-3-7;/h4H,1-3H2;/q-1;+1.
What are the key properties of CID 88751239?
CID 88751239 has a molecular weight of 168.99 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88751239 is sourced from PubChem (CID 88751239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).