ethane;oxepine

C10H18O — CID 91237012

IUPACethane;oxepine
SMILESC1=CC=COC=C1.CC.CC
InChIInChI=1S/C6H6O.2C2H6/c1-2-4-6-7-5-3-1;2*1-2/h1-6H;2*1-2H3
InChIKeyVVQHYLUZDIQMMM-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.65
Rot. Bonds

About ethane;oxepine

ethane;oxepine (PubChem CID 91237012) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is ethane;oxepine.

Molecular Properties

Compound Nameethane;oxepine
PubChem CID91237012
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Nameethane;oxepine
SMILESC1=CC=COC=C1.CC.CC
InChIInChI=1S/C6H6O.2C2H6/c1-2-4-6-7-5-3-1;2*1-2/h1-6H;2*1-2H3
InChIKeyVVQHYLUZDIQMMM-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;oxepine?
The IUPAC name of ethane;oxepine (CID 91237012) is ethane;oxepine.
What is the SMILES notation for ethane;oxepine?
The canonical SMILES for ethane;oxepine is C1=CC=COC=C1.CC.CC.
What is the InChIKey of ethane;oxepine?
The InChIKey is VVQHYLUZDIQMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.2C2H6/c1-2-4-6-7-5-3-1;2*1-2/h1-6H;2*1-2H3.
What are the key properties of ethane;oxepine?
ethane;oxepine has a molecular weight of 154.25 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;oxepine is sourced from PubChem (CID 91237012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).