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

C21H49NO2 — CID 160543305

IUPACethane;methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine
SMILESC.C.CC.CC.CC(C)C1=CCOCC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H14O.C7H15NO.2C2H6.2CH4/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;2*1H4
InChIKeyQXBSOVCXJNHWTF-UHFFFAOYSA-N
MW347.63 g/mol
LogP6.04
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 160543305) has the molecular formula C21H49NO2 and a molecular weight of 347.63 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 CID160543305
Molecular FormulaC21H49NO2
Molecular Weight347.63 g/mol
Exact Mass347.38
IUPAC Nameethane;methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine
SMILESC.C.CC.CC.CC(C)C1=CCOCC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H14O.C7H15NO.2C2H6.2CH4/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;2*1H4
InChIKeyQXBSOVCXJNHWTF-UHFFFAOYSA-N
XLogP6.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.63
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine 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 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 160543305) 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.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 QXBSOVCXJNHWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C7H15NO.2C2H6.2CH4/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;2*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 347.63 g/mol, XLogP of 6.04, 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 160543305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).