benzene;oxane

C16H26O2 — CID 19832785

IUPACbenzene;oxane
SMILESC1CCOCC1.C1CCOCC1.c1ccccc1
InChIInChI=1S/C6H6.2C5H10O/c3*1-2-4-6-5-3-1/h1-6H;2*1-5H2
InChIKeyIHVLADVJGSGKGQ-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.06
Rot. Bonds

About benzene;oxane

benzene;oxane (PubChem CID 19832785) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is benzene;oxane.

Molecular Properties

Compound Namebenzene;oxane
PubChem CID19832785
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Namebenzene;oxane
SMILESC1CCOCC1.C1CCOCC1.c1ccccc1
InChIInChI=1S/C6H6.2C5H10O/c3*1-2-4-6-5-3-1/h1-6H;2*1-5H2
InChIKeyIHVLADVJGSGKGQ-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze benzene;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 benzene;oxane?
The IUPAC name of benzene;oxane (CID 19832785) is benzene;oxane.
What is the SMILES notation for benzene;oxane?
The canonical SMILES for benzene;oxane is C1CCOCC1.C1CCOCC1.c1ccccc1.
What is the InChIKey of benzene;oxane?
The InChIKey is IHVLADVJGSGKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.2C5H10O/c3*1-2-4-6-5-3-1/h1-6H;2*1-5H2.
What are the key properties of benzene;oxane?
benzene;oxane has a molecular weight of 250.38 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;oxane is sourced from PubChem (CID 19832785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).