2-pentadec-10-ynoxyoxane

C20H36O2 — CID 11174315

IUPAC2-pentadec-10-ynoxyoxane
SMILESCCCCC#CCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-20-17-14-16-19-22-20/h20H,2-4,7-19H2,1H3
InChIKeyHJAMTTKCNINGBH-UHFFFAOYSA-N
MW308.51 g/mol
LogP5.84
Rot. Bonds12

About 2-pentadec-10-ynoxyoxane

2-pentadec-10-ynoxyoxane (PubChem CID 11174315) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 2-pentadec-10-ynoxyoxane.

Molecular Properties

Compound Name2-pentadec-10-ynoxyoxane
PubChem CID11174315
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name2-pentadec-10-ynoxyoxane
SMILESCCCCC#CCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-20-17-14-16-19-22-20/h20H,2-4,7-19H2,1H3
InChIKeyHJAMTTKCNINGBH-UHFFFAOYSA-N
XLogP5.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pentadec-10-ynoxyoxane?
The IUPAC name of 2-pentadec-10-ynoxyoxane (CID 11174315) is 2-pentadec-10-ynoxyoxane.
What is the SMILES notation for 2-pentadec-10-ynoxyoxane?
The canonical SMILES for 2-pentadec-10-ynoxyoxane is CCCCC#CCCCCCCCCCOC1CCCCO1.
What is the InChIKey of 2-pentadec-10-ynoxyoxane?
The InChIKey is HJAMTTKCNINGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-20-17-14-16-19-22-20/h20H,2-4,7-19H2,1H3.
What are the key properties of 2-pentadec-10-ynoxyoxane?
2-pentadec-10-ynoxyoxane has a molecular weight of 308.51 g/mol, XLogP of 5.84, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentadec-10-ynoxyoxane is sourced from PubChem (CID 11174315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).