ethane;furan;morpholine;oxepane;oxolane

C20H39NO4 — CID 142054843

IUPACethane;furan;morpholine;oxepane;oxolane
SMILESC1CCCOCC1.C1CCOC1.C1COCCN1.CC.c1ccoc1
InChIInChI=1S/C6H12O.C4H9NO.C4H8O.C4H4O.C2H6/c1-2-4-6-7-5-3-1;1-3-6-4-2-5-1;2*1-2-4-5-3-1;1-2/h1-6H2;5H,1-4H2;1-4H2;1-4H;1-2H3
InChIKeyZFDDPBRQMXJWBE-UHFFFAOYSA-N
MW357.54 g/mol
LogP4.29
Rot. Bonds

About ethane;furan;morpholine;oxepane;oxolane

ethane;furan;morpholine;oxepane;oxolane (PubChem CID 142054843) has the molecular formula C20H39NO4 and a molecular weight of 357.54 g/mol. Its IUPAC name is ethane;furan;morpholine;oxepane;oxolane.

Molecular Properties

Compound Nameethane;furan;morpholine;oxepane;oxolane
PubChem CID142054843
Molecular FormulaC20H39NO4
Molecular Weight357.54 g/mol
Exact Mass357.29
IUPAC Nameethane;furan;morpholine;oxepane;oxolane
SMILESC1CCCOCC1.C1CCOC1.C1COCCN1.CC.c1ccoc1
InChIInChI=1S/C6H12O.C4H9NO.C4H8O.C4H4O.C2H6/c1-2-4-6-7-5-3-1;1-3-6-4-2-5-1;2*1-2-4-5-3-1;1-2/h1-6H2;5H,1-4H2;1-4H2;1-4H;1-2H3
InChIKeyZFDDPBRQMXJWBE-UHFFFAOYSA-N
XLogP4.29
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Furan;morpholine
CID 161140948
3-Methylfuran;morpholine
CID 174920496

Frequently Asked Questions

What is the IUPAC name of ethane;furan;morpholine;oxepane;oxolane?
The IUPAC name of ethane;furan;morpholine;oxepane;oxolane (CID 142054843) is ethane;furan;morpholine;oxepane;oxolane.
What is the SMILES notation for ethane;furan;morpholine;oxepane;oxolane?
The canonical SMILES for ethane;furan;morpholine;oxepane;oxolane is C1CCCOCC1.C1CCOC1.C1COCCN1.CC.c1ccoc1.
What is the InChIKey of ethane;furan;morpholine;oxepane;oxolane?
The InChIKey is ZFDDPBRQMXJWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C4H9NO.C4H8O.C4H4O.C2H6/c1-2-4-6-7-5-3-1;1-3-6-4-2-5-1;2*1-2-4-5-3-1;1-2/h1-6H2;5H,1-4H2;1-4H2;1-4H;1-2H3.
What are the key properties of ethane;furan;morpholine;oxepane;oxolane?
ethane;furan;morpholine;oxepane;oxolane has a molecular weight of 357.54 g/mol, XLogP of 4.29, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;furan;morpholine;oxepane;oxolane is sourced from PubChem (CID 142054843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).