CID 173092653

C14H34Al — CID 173092653

IUPAC—
SMILESCC(C)C[Al]CC(C)C.CCCCCC.[H][H]
InChIInChI=1S/C6H14.2C4H9.Al.H2/c1-3-5-6-4-2;2*1-4(2)3;;/h3-6H2,1-2H3;2*4H,1H2,2-3H3;;1H
InChIKeyJIBGRMAOJKFLAB-UHFFFAOYSA-N
MW229.41 g/mol
LogP5.67
Rot. Bonds7

About CID 173092653

CID 173092653 (PubChem CID 173092653) has the molecular formula C14H34Al and a molecular weight of 229.41 g/mol.

Molecular Properties

Compound NameCID 173092653
PubChem CID173092653
Molecular FormulaC14H34Al
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Name—
SMILESCC(C)C[Al]CC(C)C.CCCCCC.[H][H]
InChIInChI=1S/C6H14.2C4H9.Al.H2/c1-3-5-6-4-2;2*1-4(2)3;;/h3-6H2,1-2H3;2*4H,1H2,2-3H3;;1H
InChIKeyJIBGRMAOJKFLAB-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500229.41
LogP ≤ 55.67
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

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Frequently Asked Questions

What is the IUPAC name of CID 173092653?
The IUPAC name of CID 173092653 (CID 173092653) is not available.
What is the SMILES notation for CID 173092653?
The canonical SMILES for CID 173092653 is CC(C)C[Al]CC(C)C.CCCCCC.[H][H].
What is the InChIKey of CID 173092653?
The InChIKey is JIBGRMAOJKFLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.2C4H9.Al.H2/c1-3-5-6-4-2;2*1-4(2)3;;/h3-6H2,1-2H3;2*4H,1H2,2-3H3;;1H.
What are the key properties of CID 173092653?
CID 173092653 has a molecular weight of 229.41 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173092653 is sourced from PubChem (CID 173092653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).