hexadeca-1,15-dien-8-yne

C16H26 — CID 10798887

IUPAChexadeca-1,15-dien-8-yne
SMILESC=CCCCCCC#CCCCCCC=C
InChIInChI=1S/C16H26/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-4H,1-2,5-14H2
InChIKeyDJVAZXICQOZLIK-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.26
Rot. Bonds10

About hexadeca-1,15-dien-8-yne

hexadeca-1,15-dien-8-yne (PubChem CID 10798887) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is hexadeca-1,15-dien-8-yne.

Molecular Properties

Compound Namehexadeca-1,15-dien-8-yne
PubChem CID10798887
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Namehexadeca-1,15-dien-8-yne
SMILESC=CCCCCCC#CCCCCCC=C
InChIInChI=1S/C16H26/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-4H,1-2,5-14H2
InChIKeyDJVAZXICQOZLIK-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexadeca-1,15-dien-8-yne?
The IUPAC name of hexadeca-1,15-dien-8-yne (CID 10798887) is hexadeca-1,15-dien-8-yne.
What is the SMILES notation for hexadeca-1,15-dien-8-yne?
The canonical SMILES for hexadeca-1,15-dien-8-yne is C=CCCCCCC#CCCCCCC=C.
What is the InChIKey of hexadeca-1,15-dien-8-yne?
The InChIKey is DJVAZXICQOZLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-4H,1-2,5-14H2.
What are the key properties of hexadeca-1,15-dien-8-yne?
hexadeca-1,15-dien-8-yne has a molecular weight of 218.38 g/mol, XLogP of 5.26, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadeca-1,15-dien-8-yne is sourced from PubChem (CID 10798887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).