chloro(dimethyl)alumane;hexadecane

C18H40AlCl — CID 174630771

IUPACchloro(dimethyl)alumane;hexadecane
SMILESCCCCCCCCCCCCCCCC.C[Al](C)Cl
InChIInChI=1S/C16H34.2CH3.Al.ClH/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;;;;/h3-16H2,1-2H3;2*1H3;;1H/q;;;+1;/p-1
InChIKeyHRQHOCRSKLAENM-UHFFFAOYSA-M
MW318.95 g/mol
LogP7.96
Rot. Bonds13

About chloro(dimethyl)alumane;hexadecane

chloro(dimethyl)alumane;hexadecane (PubChem CID 174630771) has the molecular formula C18H40AlCl and a molecular weight of 318.95 g/mol. Its IUPAC name is chloro(dimethyl)alumane;hexadecane.

Molecular Properties

Compound Namechloro(dimethyl)alumane;hexadecane
PubChem CID174630771
Molecular FormulaC18H40AlCl
Molecular Weight318.95 g/mol
Exact Mass318.26
IUPAC Namechloro(dimethyl)alumane;hexadecane
SMILESCCCCCCCCCCCCCCCC.C[Al](C)Cl
InChIInChI=1S/C16H34.2CH3.Al.ClH/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;;;;/h3-16H2,1-2H3;2*1H3;;1H/q;;;+1;/p-1
InChIKeyHRQHOCRSKLAENM-UHFFFAOYSA-M
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.95
LogP ≤ 57.96
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

dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944
dopentacontahectane
CID 23391374

Frequently Asked Questions

What is the IUPAC name of chloro(dimethyl)alumane;hexadecane?
The IUPAC name of chloro(dimethyl)alumane;hexadecane (CID 174630771) is chloro(dimethyl)alumane;hexadecane.
What is the SMILES notation for chloro(dimethyl)alumane;hexadecane?
The canonical SMILES for chloro(dimethyl)alumane;hexadecane is CCCCCCCCCCCCCCCC.C[Al](C)Cl.
What is the InChIKey of chloro(dimethyl)alumane;hexadecane?
The InChIKey is HRQHOCRSKLAENM-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H34.2CH3.Al.ClH/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;;;;/h3-16H2,1-2H3;2*1H3;;1H/q;;;+1;/p-1.
What are the key properties of chloro(dimethyl)alumane;hexadecane?
chloro(dimethyl)alumane;hexadecane has a molecular weight of 318.95 g/mol, XLogP of 7.96, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(dimethyl)alumane;hexadecane is sourced from PubChem (CID 174630771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).