ethane;4-methoxy-4-(4-methylphenyl)oxepane

C16H26O2 — CID 143594284

IUPACethane;4-methoxy-4-(4-methylphenyl)oxepane
SMILESCC.COC1(c2ccc(C)cc2)CCCOCC1
InChIInChI=1S/C14H20O2.C2H6/c1-12-4-6-13(7-5-12)14(15-2)8-3-10-16-11-9-14;1-2/h4-7H,3,8-11H2,1-2H3;1-2H3
InChIKeyYRADPBIQQWNLJC-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.06
Rot. Bonds2

About ethane;4-methoxy-4-(4-methylphenyl)oxepane

ethane;4-methoxy-4-(4-methylphenyl)oxepane (PubChem CID 143594284) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is ethane;4-methoxy-4-(4-methylphenyl)oxepane.

Molecular Properties

Compound Nameethane;4-methoxy-4-(4-methylphenyl)oxepane
PubChem CID143594284
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Nameethane;4-methoxy-4-(4-methylphenyl)oxepane
SMILESCC.COC1(c2ccc(C)cc2)CCCOCC1
InChIInChI=1S/C14H20O2.C2H6/c1-12-4-6-13(7-5-12)14(15-2)8-3-10-16-11-9-14;1-2/h4-7H,3,8-11H2,1-2H3;1-2H3
InChIKeyYRADPBIQQWNLJC-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-4-(4-methylphenyl)oxepane?
The IUPAC name of ethane;4-methoxy-4-(4-methylphenyl)oxepane (CID 143594284) is ethane;4-methoxy-4-(4-methylphenyl)oxepane.
What is the SMILES notation for ethane;4-methoxy-4-(4-methylphenyl)oxepane?
The canonical SMILES for ethane;4-methoxy-4-(4-methylphenyl)oxepane is CC.COC1(c2ccc(C)cc2)CCCOCC1.
What is the InChIKey of ethane;4-methoxy-4-(4-methylphenyl)oxepane?
The InChIKey is YRADPBIQQWNLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2.C2H6/c1-12-4-6-13(7-5-12)14(15-2)8-3-10-16-11-9-14;1-2/h4-7H,3,8-11H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methoxy-4-(4-methylphenyl)oxepane?
ethane;4-methoxy-4-(4-methylphenyl)oxepane has a molecular weight of 250.38 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-4-(4-methylphenyl)oxepane is sourced from PubChem (CID 143594284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).