CID 87101515

C6H15AlCl2 — CID 87101515

IUPAC—
SMILESCCCCCC[Al].Cl.Cl
InChIInChI=1S/C6H13.Al.2ClH/c1-3-5-6-4-2;;;/h1,3-6H2,2H3;;2*1H
InChIKeyAWXMLTYSWJUVLJ-UHFFFAOYSA-N
MW185.07 g/mol
LogP3.00
Rot. Bonds4

About CID 87101515

CID 87101515 (PubChem CID 87101515) has the molecular formula C6H15AlCl2 and a molecular weight of 185.07 g/mol.

Molecular Properties

Compound NameCID 87101515
PubChem CID87101515
Molecular FormulaC6H15AlCl2
Molecular Weight185.07 g/mol
Exact Mass184.04
IUPAC Name—
SMILESCCCCCC[Al].Cl.Cl
InChIInChI=1S/C6H13.Al.2ClH/c1-3-5-6-4-2;;;/h1,3-6H2,2H3;;2*1H
InChIKeyAWXMLTYSWJUVLJ-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.07
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 88623625
CID 88623625
CID 88819610
CID 88819610
icosane;tetrahydrochloride
CID 143212018
bis(heptane);hydrochloride
CID 160833718
pentacosane;hydrochloride
CID 172714496
nonadecane;hydrochloride
CID 172821128
methane;octane;dihydrochloride
CID 174397937
heptane;silane;trihydrochloride
CID 173470147
azane;tritriacontane;hydrochloride
CID 174841743
bis(octane);silane;dihydrochloride
CID 173470119
heptane;phosphane;trihydrochloride
CID 175501735
dodecane;phosphane;dihydrochloride
CID 173449681

Frequently Asked Questions

What is the IUPAC name of CID 87101515?
The IUPAC name of CID 87101515 (CID 87101515) is not available.
What is the SMILES notation for CID 87101515?
The canonical SMILES for CID 87101515 is CCCCCC[Al].Cl.Cl.
What is the InChIKey of CID 87101515?
The InChIKey is AWXMLTYSWJUVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13.Al.2ClH/c1-3-5-6-4-2;;;/h1,3-6H2,2H3;;2*1H.
What are the key properties of CID 87101515?
CID 87101515 has a molecular weight of 185.07 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87101515 is sourced from PubChem (CID 87101515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).