2-[[9-ethynyl-7-(oxan-2-yloxy)-9H-fluoren-2-yl]oxy]oxane

C25H26O4 — CID 59600964

IUPAC2-[[9-ethynyl-7-(oxan-2-yloxy)-9H-fluoren-2-yl]oxy]oxane
SMILESC#CC1c2cc(OC3CCCCO3)ccc2-c2ccc(OC3CCCCO3)cc21
InChIInChI=1S/C25H26O4/c1-2-19-22-15-17(28-24-7-3-5-13-26-24)9-11-20(22)21-12-10-18(16-23(19)21)29-25-8-4-6-14-27-25/h1,9-12,15-16,19,24-25H,3-8,13-14H2
InChIKeyQBUKSXPNSNWANI-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.24
Rot. Bonds4

About 2-[[9-ethynyl-7-(oxan-2-yloxy)-9H-fluoren-2-yl]oxy]oxane

2-[[9-ethynyl-7-(oxan-2-yloxy)-9H-fluoren-2-yl]oxy]oxane (PubChem CID 59600964) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[[9-ethynyl-7-(oxan-2-yloxy)-9H-fluoren-2-yl]oxy]oxane.

Molecular Properties

Compound Name2-[[9-ethynyl-7-(oxan-2-yloxy)-9H-fluoren-2-yl]oxy]oxane
PubChem CID59600964
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name2-[[9-ethynyl-7-(oxan-2-yloxy)-9H-fluoren-2-yl]oxy]oxane
SMILESC#CC1c2cc(OC3CCCCO3)ccc2-c2ccc(OC3CCCCO3)cc21
InChIInChI=1S/C25H26O4/c1-2-19-22-15-17(28-24-7-3-5-13-26-24)9-11-20(22)21-12-10-18(16-23(19)21)29-25-8-4-6-14-27-25/h1,9-12,15-16,19,24-25H,3-8,13-14H2
InChIKeyQBUKSXPNSNWANI-UHFFFAOYSA-N
XLogP5.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[9-ethynyl-7-(oxan-2-yloxy)-9H-fluoren-2-yl]oxy]oxane with MolForge

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Related Compounds

2-(3-bromophenoxy)oxane
CID 5067264
2-(3,4-dimethylphenoxy)oxane
CID 10987441
9-methyl-2,7-bis(oxan-2-yloxy)fluoren-9-ol
CID 154680130
6-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one
CID 129395002
3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline
CID 124863691
4-(oxan-2-yloxy)phenol
CID 11745519
CID 168763543
CID 168763543
5-(oxan-2-yloxy)-1-benzofuran
CID 67340749
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
4-(oxan-2-yloxy)benzoic acid
CID 11183645
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
(2R)-2-(4-nitrophenoxy)oxane
CID 101172898

Frequently Asked Questions

What is the IUPAC name of 2-[[9-ethynyl-7-(oxan-2-yloxy)-9H-fluoren-2-yl]oxy]oxane?
The IUPAC name of 2-[[9-ethynyl-7-(oxan-2-yloxy)-9H-fluoren-2-yl]oxy]oxane (CID 59600964) is 2-[[9-ethynyl-7-(oxan-2-yloxy)-9H-fluoren-2-yl]oxy]oxane.
What is the SMILES notation for 2-[[9-ethynyl-7-(oxan-2-yloxy)-9H-fluoren-2-yl]oxy]oxane?
The canonical SMILES for 2-[[9-ethynyl-7-(oxan-2-yloxy)-9H-fluoren-2-yl]oxy]oxane is C#CC1c2cc(OC3CCCCO3)ccc2-c2ccc(OC3CCCCO3)cc21.
What is the InChIKey of 2-[[9-ethynyl-7-(oxan-2-yloxy)-9H-fluoren-2-yl]oxy]oxane?
The InChIKey is QBUKSXPNSNWANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-2-19-22-15-17(28-24-7-3-5-13-26-24)9-11-20(22)21-12-10-18(16-23(19)21)29-25-8-4-6-14-27-25/h1,9-12,15-16,19,24-25H,3-8,13-14H2.
What are the key properties of 2-[[9-ethynyl-7-(oxan-2-yloxy)-9H-fluoren-2-yl]oxy]oxane?
2-[[9-ethynyl-7-(oxan-2-yloxy)-9H-fluoren-2-yl]oxy]oxane has a molecular weight of 390.48 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[9-ethynyl-7-(oxan-2-yloxy)-9H-fluoren-2-yl]oxy]oxane is sourced from PubChem (CID 59600964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).