pentadec-14-ynylidynealumane

C15H25Al — CID 140569743

IUPACpentadec-14-ynylidynealumane
SMILESC#CCCCCCCCCCCCCC#[Al]
InChIInChI=1S/C15H25.Al/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;/h1H,4-15H2;
InChIKeyBVNSPMVGWSRYFH-UHFFFAOYSA-N
MW232.35 g/mol
LogP4.43
Rot. Bonds11

About pentadec-14-ynylidynealumane

pentadec-14-ynylidynealumane (PubChem CID 140569743) has the molecular formula C15H25Al and a molecular weight of 232.35 g/mol. Its IUPAC name is pentadec-14-ynylidynealumane.

Molecular Properties

Compound Namepentadec-14-ynylidynealumane
PubChem CID140569743
Molecular FormulaC15H25Al
Molecular Weight232.35 g/mol
Exact Mass232.18
IUPAC Namepentadec-14-ynylidynealumane
SMILESC#CCCCCCCCCCCCCC#[Al]
InChIInChI=1S/C15H25.Al/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;/h1H,4-15H2;
InChIKeyBVNSPMVGWSRYFH-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trideca-1,12-diyne
CID 13119526
heptatriaconta-1,36-diyne
CID 58527209
deca-1,9-diyne
CID 123438720
oct-1-yne
CID 19597608
hexadec-15-yn-1-ol
CID 10922615
8-fluorooct-1-yne
CID 9854
CID 172706336
CID 172706336
N-methyl-N-oct-7-ynyloct-7-yn-1-amine
CID 170134765
9,9-dimethyldec-1-yne
CID 169300385
N-methylhept-6-yn-1-amine
CID 64502555
19,19-dichlorononadec-1-yne
CID 88635184
12-methyltridec-1-yne
CID 10921423

Frequently Asked Questions

What is the IUPAC name of pentadec-14-ynylidynealumane?
The IUPAC name of pentadec-14-ynylidynealumane (CID 140569743) is pentadec-14-ynylidynealumane.
What is the SMILES notation for pentadec-14-ynylidynealumane?
The canonical SMILES for pentadec-14-ynylidynealumane is C#CCCCCCCCCCCCCC#[Al].
What is the InChIKey of pentadec-14-ynylidynealumane?
The InChIKey is BVNSPMVGWSRYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25.Al/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;/h1H,4-15H2;.
What are the key properties of pentadec-14-ynylidynealumane?
pentadec-14-ynylidynealumane has a molecular weight of 232.35 g/mol, XLogP of 4.43, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentadec-14-ynylidynealumane is sourced from PubChem (CID 140569743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).