2-(3-phenylhept-6-ynoxy)oxane

C18H24O2 — CID 10683626

IUPAC2-(3-phenylhept-6-ynoxy)oxane
SMILESC#CCCC(CCOC1CCCCO1)c1ccccc1
InChIInChI=1S/C18H24O2/c1-2-3-9-17(16-10-5-4-6-11-16)13-15-20-18-12-7-8-14-19-18/h1,4-6,10-11,17-18H,3,7-9,12-15H2
InChIKeyMTJMJIYCPHLMBF-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.12
Rot. Bonds7

About 2-(3-phenylhept-6-ynoxy)oxane

2-(3-phenylhept-6-ynoxy)oxane (PubChem CID 10683626) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(3-phenylhept-6-ynoxy)oxane.

Molecular Properties

Compound Name2-(3-phenylhept-6-ynoxy)oxane
PubChem CID10683626
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name2-(3-phenylhept-6-ynoxy)oxane
SMILESC#CCCC(CCOC1CCCCO1)c1ccccc1
InChIInChI=1S/C18H24O2/c1-2-3-9-17(16-10-5-4-6-11-16)13-15-20-18-12-7-8-14-19-18/h1,4-6,10-11,17-18H,3,7-9,12-15H2
InChIKeyMTJMJIYCPHLMBF-UHFFFAOYSA-N
XLogP4.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-phenylhept-6-ynoxy)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylhept-6-ynoxy)oxane?
The IUPAC name of 2-(3-phenylhept-6-ynoxy)oxane (CID 10683626) is 2-(3-phenylhept-6-ynoxy)oxane.
What is the SMILES notation for 2-(3-phenylhept-6-ynoxy)oxane?
The canonical SMILES for 2-(3-phenylhept-6-ynoxy)oxane is C#CCCC(CCOC1CCCCO1)c1ccccc1.
What is the InChIKey of 2-(3-phenylhept-6-ynoxy)oxane?
The InChIKey is MTJMJIYCPHLMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-2-3-9-17(16-10-5-4-6-11-16)13-15-20-18-12-7-8-14-19-18/h1,4-6,10-11,17-18H,3,7-9,12-15H2.
What are the key properties of 2-(3-phenylhept-6-ynoxy)oxane?
2-(3-phenylhept-6-ynoxy)oxane has a molecular weight of 272.39 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylhept-6-ynoxy)oxane is sourced from PubChem (CID 10683626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).