ethane;methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine

C20H45NO2 — CID 157182559

IUPACethane;methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine
SMILESC.CC.CC.CC(C)C1=CCOCC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H14O.C7H15NO.2C2H6.CH4/c2*1-7(2)8-3-5-9-6-4-8;2*1-2;/h3,7H,4-6H2,1-2H3;7H,3-6H2,1-2H3;2*1-2H3;1H4
InChIKeyAOSUQLPFVJITOI-UHFFFAOYSA-N
MW331.59 g/mol
LogP5.40
Rot. Bonds2

About ethane;methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine

ethane;methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine (PubChem CID 157182559) has the molecular formula C20H45NO2 and a molecular weight of 331.59 g/mol. Its IUPAC name is ethane;methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine.

Molecular Properties

Compound Nameethane;methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine
PubChem CID157182559
Molecular FormulaC20H45NO2
Molecular Weight331.59 g/mol
Exact Mass331.35
IUPAC Nameethane;methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine
SMILESC.CC.CC.CC(C)C1=CCOCC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H14O.C7H15NO.2C2H6.CH4/c2*1-7(2)8-3-5-9-6-4-8;2*1-2;/h3,7H,4-6H2,1-2H3;7H,3-6H2,1-2H3;2*1-2H3;1H4
InChIKeyAOSUQLPFVJITOI-UHFFFAOYSA-N
XLogP5.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine?
The IUPAC name of ethane;methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine (CID 157182559) is ethane;methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine.
What is the SMILES notation for ethane;methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine?
The canonical SMILES for ethane;methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine is C.CC.CC.CC(C)C1=CCOCC1.CC(C)N1CCOCC1.
What is the InChIKey of ethane;methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine?
The InChIKey is AOSUQLPFVJITOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C7H15NO.2C2H6.CH4/c2*1-7(2)8-3-5-9-6-4-8;2*1-2;/h3,7H,4-6H2,1-2H3;7H,3-6H2,1-2H3;2*1-2H3;1H4.
What are the key properties of ethane;methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine?
ethane;methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine has a molecular weight of 331.59 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine is sourced from PubChem (CID 157182559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).