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

C27H61NO3 — CID 158315052

IUPACmethane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane
SMILESC.C.C.C.CC(C)C1=CCOCC1.CC(C)C1CCOCC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H16O.C8H14O.C7H15NO.4CH4/c3*1-7(2)8-3-5-9-6-4-8;;;;/h7-8H,3-6H2,1-2H3;3,7H,4-6H2,1-2H3;7H,3-6H2,1-2H3;4*1H4
InChIKeyGODWGFPNKFXVAM-UHFFFAOYSA-N
MW447.79 g/mol
LogP7.33
Rot. Bonds3

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

methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane (PubChem CID 158315052) has the molecular formula C27H61NO3 and a molecular weight of 447.79 g/mol. Its IUPAC name is methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane.

Molecular Properties

Compound Namemethane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane
PubChem CID158315052
Molecular FormulaC27H61NO3
Molecular Weight447.79 g/mol
Exact Mass447.47
IUPAC Namemethane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane
SMILESC.C.C.C.CC(C)C1=CCOCC1.CC(C)C1CCOCC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H16O.C8H14O.C7H15NO.4CH4/c3*1-7(2)8-3-5-9-6-4-8;;;;/h7-8H,3-6H2,1-2H3;3,7H,4-6H2,1-2H3;7H,3-6H2,1-2H3;4*1H4
InChIKeyGODWGFPNKFXVAM-UHFFFAOYSA-N
XLogP7.33
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.79
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane?
The IUPAC name of methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane (CID 158315052) is methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane.
What is the SMILES notation for methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane?
The canonical SMILES for methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane is C.C.C.C.CC(C)C1=CCOCC1.CC(C)C1CCOCC1.CC(C)N1CCOCC1.
What is the InChIKey of methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane?
The InChIKey is GODWGFPNKFXVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C8H14O.C7H15NO.4CH4/c3*1-7(2)8-3-5-9-6-4-8;;;;/h7-8H,3-6H2,1-2H3;3,7H,4-6H2,1-2H3;7H,3-6H2,1-2H3;4*1H4.
What are the key properties of methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane?
methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane has a molecular weight of 447.79 g/mol, XLogP of 7.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane is sourced from PubChem (CID 158315052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).