tert-butyl 3-(1-hydroxy-4-methylpent-4-enyl)morpholine-4-carboxylate

C15H27NO4 — CID 103554205

IUPACtert-butyl 3-(1-hydroxy-4-methylpent-4-enyl)morpholine-4-carboxylate
SMILESC=C(C)CCC(O)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-11(2)6-7-13(17)12-10-19-9-8-16(12)14(18)20-15(3,4)5/h12-13,17H,1,6-10H2,2-5H3
InChIKeyYTVPPWYFAQTNHL-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.34
Rot. Bonds4

About tert-butyl 3-(1-hydroxy-4-methylpent-4-enyl)morpholine-4-carboxylate

tert-butyl 3-(1-hydroxy-4-methylpent-4-enyl)morpholine-4-carboxylate (PubChem CID 103554205) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl 3-(1-hydroxy-4-methylpent-4-enyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-hydroxy-4-methylpent-4-enyl)morpholine-4-carboxylate
PubChem CID103554205
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl 3-(1-hydroxy-4-methylpent-4-enyl)morpholine-4-carboxylate
SMILESC=C(C)CCC(O)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-11(2)6-7-13(17)12-10-19-9-8-16(12)14(18)20-15(3,4)5/h12-13,17H,1,6-10H2,2-5H3
InChIKeyYTVPPWYFAQTNHL-UHFFFAOYSA-N
XLogP2.34
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
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 tert-butyl 3-(1-hydroxy-4-methylpent-4-enyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(1-hydroxy-4-methylpent-4-enyl)morpholine-4-carboxylate (CID 103554205) is tert-butyl 3-(1-hydroxy-4-methylpent-4-enyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-hydroxy-4-methylpent-4-enyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(1-hydroxy-4-methylpent-4-enyl)morpholine-4-carboxylate is C=C(C)CCC(O)C1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(1-hydroxy-4-methylpent-4-enyl)morpholine-4-carboxylate?
The InChIKey is YTVPPWYFAQTNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-11(2)6-7-13(17)12-10-19-9-8-16(12)14(18)20-15(3,4)5/h12-13,17H,1,6-10H2,2-5H3.
What are the key properties of tert-butyl 3-(1-hydroxy-4-methylpent-4-enyl)morpholine-4-carboxylate?
tert-butyl 3-(1-hydroxy-4-methylpent-4-enyl)morpholine-4-carboxylate has a molecular weight of 285.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-hydroxy-4-methylpent-4-enyl)morpholine-4-carboxylate is sourced from PubChem (CID 103554205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).