3-methylidenecyclopentadecyne

C16H26 — CID 15504587

IUPAC3-methylidenecyclopentadecyne
SMILESC=C1C#CCCCCCCCCCCCC1
InChIInChI=1S/C16H26/c1-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-16/h1-12,14H2
InChIKeySTCOXUJZAZOGOL-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.24
Rot. Bonds

About 3-methylidenecyclopentadecyne

3-methylidenecyclopentadecyne (PubChem CID 15504587) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 3-methylidenecyclopentadecyne.

Molecular Properties

Compound Name3-methylidenecyclopentadecyne
PubChem CID15504587
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name3-methylidenecyclopentadecyne
SMILESC=C1C#CCCCCCCCCCCCC1
InChIInChI=1S/C16H26/c1-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-16/h1-12,14H2
InChIKeySTCOXUJZAZOGOL-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidenecyclopentadecyne?
The IUPAC name of 3-methylidenecyclopentadecyne (CID 15504587) is 3-methylidenecyclopentadecyne.
What is the SMILES notation for 3-methylidenecyclopentadecyne?
The canonical SMILES for 3-methylidenecyclopentadecyne is C=C1C#CCCCCCCCCCCCC1.
What is the InChIKey of 3-methylidenecyclopentadecyne?
The InChIKey is STCOXUJZAZOGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-16/h1-12,14H2.
What are the key properties of 3-methylidenecyclopentadecyne?
3-methylidenecyclopentadecyne has a molecular weight of 218.38 g/mol, XLogP of 5.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenecyclopentadecyne is sourced from PubChem (CID 15504587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).