(3S,5R)-3-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-5-cyclopropylmorpholin-2-one

C27H35NO3Si — CID 59389141

IUPAC(3S,5R)-3-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-5-cyclopropylmorpholin-2-one
SMILESCC(C)(C)[Si](OCC1([C@@H]2N[C@H](C3CC3)COC2=O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H35NO3Si/c1-26(2,3)32(21-10-6-4-7-11-21,22-12-8-5-9-13-22)31-19-27(16-17-27)24-25(29)30-18-23(28-24)20-14-15-20/h4-13,20,23-24,28H,14-19H2,1-3H3/t23-,24+/m0/s1
InChIKeyYRCXJMSQQXHAPY-BJKOFHAPSA-N
MW449.67 g/mol
LogP3.64
Rot. Bonds7

About (3S,5R)-3-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-5-cyclopropylmorpholin-2-one

(3S,5R)-3-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-5-cyclopropylmorpholin-2-one (PubChem CID 59389141) has the molecular formula C27H35NO3Si and a molecular weight of 449.67 g/mol. Its IUPAC name is (3S,5R)-3-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-5-cyclopropylmorpholin-2-one.

Molecular Properties

Compound Name(3S,5R)-3-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-5-cyclopropylmorpholin-2-one
PubChem CID59389141
Molecular FormulaC27H35NO3Si
Molecular Weight449.67 g/mol
Exact Mass449.24
IUPAC Name(3S,5R)-3-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-5-cyclopropylmorpholin-2-one
SMILESCC(C)(C)[Si](OCC1([C@@H]2N[C@H](C3CC3)COC2=O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H35NO3Si/c1-26(2,3)32(21-10-6-4-7-11-21,22-12-8-5-9-13-22)31-19-27(16-17-27)24-25(29)30-18-23(28-24)20-14-15-20/h4-13,20,23-24,28H,14-19H2,1-3H3/t23-,24+/m0/s1
InChIKeyYRCXJMSQQXHAPY-BJKOFHAPSA-N
XLogP3.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.67
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-5-cyclopropylmorpholin-2-one?
The IUPAC name of (3S,5R)-3-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-5-cyclopropylmorpholin-2-one (CID 59389141) is (3S,5R)-3-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-5-cyclopropylmorpholin-2-one.
What is the SMILES notation for (3S,5R)-3-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-5-cyclopropylmorpholin-2-one?
The canonical SMILES for (3S,5R)-3-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-5-cyclopropylmorpholin-2-one is CC(C)(C)[Si](OCC1([C@@H]2N[C@H](C3CC3)COC2=O)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,5R)-3-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-5-cyclopropylmorpholin-2-one?
The InChIKey is YRCXJMSQQXHAPY-BJKOFHAPSA-N. The full InChI is InChI=1S/C27H35NO3Si/c1-26(2,3)32(21-10-6-4-7-11-21,22-12-8-5-9-13-22)31-19-27(16-17-27)24-25(29)30-18-23(28-24)20-14-15-20/h4-13,20,23-24,28H,14-19H2,1-3H3/t23-,24+/m0/s1.
What are the key properties of (3S,5R)-3-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-5-cyclopropylmorpholin-2-one?
(3S,5R)-3-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-5-cyclopropylmorpholin-2-one has a molecular weight of 449.67 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-5-cyclopropylmorpholin-2-one is sourced from PubChem (CID 59389141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).