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

C23H45NO3 — CID 157285576

IUPAC4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane
SMILESCC(C)C1=CCOCC1.CC(C)C1CCOCC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H16O.C8H14O.C7H15NO/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
InChIKeyBAEPYWYTCNFWKE-UHFFFAOYSA-N
MW383.62 g/mol
LogP4.79
Rot. Bonds3

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

4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane (PubChem CID 157285576) has the molecular formula C23H45NO3 and a molecular weight of 383.62 g/mol. Its IUPAC name is 4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane.

Molecular Properties

Compound Name4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane
PubChem CID157285576
Molecular FormulaC23H45NO3
Molecular Weight383.62 g/mol
Exact Mass383.34
IUPAC Name4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane
SMILESCC(C)C1=CCOCC1.CC(C)C1CCOCC1.CC(C)N1CCOCC1
InChIInChI=1S/C8H16O.C8H14O.C7H15NO/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
InChIKeyBAEPYWYTCNFWKE-UHFFFAOYSA-N
XLogP4.79
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.62
LogP ≤ 54.79
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 4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane?
The IUPAC name of 4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane (CID 157285576) is 4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane.
What is the SMILES notation for 4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane?
The canonical SMILES for 4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane is CC(C)C1=CCOCC1.CC(C)C1CCOCC1.CC(C)N1CCOCC1.
What is the InChIKey of 4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane?
The InChIKey is BAEPYWYTCNFWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C8H14O.C7H15NO/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.
What are the key properties of 4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane?
4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane has a molecular weight of 383.62 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane is sourced from PubChem (CID 157285576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).