pentadeca-5,10-diyne

C15H24 — CID 15530767

IUPACpentadeca-5,10-diyne
SMILESCCCCC#CCCCC#CCCCC
InChIInChI=1S/C15H24/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-8,13-15H2,1-2H3
InChIKeyRBEYZPPEUXQXEW-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.54
Rot. Bonds6

About pentadeca-5,10-diyne

pentadeca-5,10-diyne (PubChem CID 15530767) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is pentadeca-5,10-diyne.

Molecular Properties

Compound Namepentadeca-5,10-diyne
PubChem CID15530767
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Namepentadeca-5,10-diyne
SMILESCCCCC#CCCCC#CCCCC
InChIInChI=1S/C15H24/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-8,13-15H2,1-2H3
InChIKeyRBEYZPPEUXQXEW-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.54
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

tetradeca-4,9-diyne
CID 173328648
methane;bis(oct-3-yne)
CID 159540057
1-chloropentadeca-5,10-diyne
CID 560942
pentadeca-5,10-diyn-1-ol
CID 560933
henicos-8-yne
CID 22224321
trideca-2,8-diyne
CID 90921383
oct-3-yne-1-thiol
CID 150444004
dodeca-4,7-diyne
CID 173074460
icosa-5,8,11-triyne
CID 139696043
1-fluorohex-1-yne
CID 87549340
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888

Frequently Asked Questions

What is the IUPAC name of pentadeca-5,10-diyne?
The IUPAC name of pentadeca-5,10-diyne (CID 15530767) is pentadeca-5,10-diyne.
What is the SMILES notation for pentadeca-5,10-diyne?
The canonical SMILES for pentadeca-5,10-diyne is CCCCC#CCCCC#CCCCC.
What is the InChIKey of pentadeca-5,10-diyne?
The InChIKey is RBEYZPPEUXQXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-8,13-15H2,1-2H3.
What are the key properties of pentadeca-5,10-diyne?
pentadeca-5,10-diyne has a molecular weight of 204.36 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentadeca-5,10-diyne is sourced from PubChem (CID 15530767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).