(7R)-1-methoxy-7-[(E)-2-tri(propan-2-yl)silylethenyl]azepan-2-one

C18H35NO2Si — CID 102485116

IUPAC(7R)-1-methoxy-7-[(E)-2-tri(propan-2-yl)silylethenyl]azepan-2-one
SMILESCON1C(=O)CCCC[C@@H]1/C=C/[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H35NO2Si/c1-14(2)22(15(3)4,16(5)6)13-12-17-10-8-9-11-18(20)19(17)21-7/h12-17H,8-11H2,1-7H3/b13-12+/t17-/m1/s1
InChIKeyJILMHHNYGVSUFA-GZKZCVOOSA-N
MW325.57 g/mol
LogP5.09
Rot. Bonds6

About (7R)-1-methoxy-7-[(E)-2-tri(propan-2-yl)silylethenyl]azepan-2-one

(7R)-1-methoxy-7-[(E)-2-tri(propan-2-yl)silylethenyl]azepan-2-one (PubChem CID 102485116) has the molecular formula C18H35NO2Si and a molecular weight of 325.57 g/mol. Its IUPAC name is (7R)-1-methoxy-7-[(E)-2-tri(propan-2-yl)silylethenyl]azepan-2-one.

Molecular Properties

Compound Name(7R)-1-methoxy-7-[(E)-2-tri(propan-2-yl)silylethenyl]azepan-2-one
PubChem CID102485116
Molecular FormulaC18H35NO2Si
Molecular Weight325.57 g/mol
Exact Mass325.24
IUPAC Name(7R)-1-methoxy-7-[(E)-2-tri(propan-2-yl)silylethenyl]azepan-2-one
SMILESCON1C(=O)CCCC[C@@H]1/C=C/[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H35NO2Si/c1-14(2)22(15(3)4,16(5)6)13-12-17-10-8-9-11-18(20)19(17)21-7/h12-17H,8-11H2,1-7H3/b13-12+/t17-/m1/s1
InChIKeyJILMHHNYGVSUFA-GZKZCVOOSA-N
XLogP5.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.57
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-7-[(E)-2-triphenylsilylethenyl]azepan-2-one
CID 134837237
(7R)-7-ethenyl-1-methoxyazepan-2-one
CID 102485106
(7S)-7-[(1R)-1-hydroxyethyl]-1-methoxyazepan-2-one
CID 101497218
1-methoxyazepane-2,7-dione
CID 134892605
(7S)-7-[(1S)-1-hydroxy-2-triphenylsilylethyl]-1-methoxyazepan-2-one
CID 134837238
1-(2,2-dimethoxyethyl)azepane-2,7-dione
CID 60976210
(4E)-1-methoxy-4-methyl-2-pentyl-2,3,6,7,8,9-hexahydroazecin-10-one
CID 131735803
(5S,9aR)-5-methoxy-1,2,5,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-3-one
CID 102314656
1-tert-butyl-6-propan-2-ylpiperidin-2-one
CID 139951302
(5S)-5-methoxy-1-propan-2-ylpyrrolidin-2-one
CID 178109240
(7R)-1-methyl-7-prop-2-enylazepan-2-one
CID 59072764
1-tert-butyl-6-[2-(oxan-4-yloxy)propyl]piperidin-2-one
CID 137448915

Frequently Asked Questions

What is the IUPAC name of (7R)-1-methoxy-7-[(E)-2-tri(propan-2-yl)silylethenyl]azepan-2-one?
The IUPAC name of (7R)-1-methoxy-7-[(E)-2-tri(propan-2-yl)silylethenyl]azepan-2-one (CID 102485116) is (7R)-1-methoxy-7-[(E)-2-tri(propan-2-yl)silylethenyl]azepan-2-one.
What is the SMILES notation for (7R)-1-methoxy-7-[(E)-2-tri(propan-2-yl)silylethenyl]azepan-2-one?
The canonical SMILES for (7R)-1-methoxy-7-[(E)-2-tri(propan-2-yl)silylethenyl]azepan-2-one is CON1C(=O)CCCC[C@@H]1/C=C/[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (7R)-1-methoxy-7-[(E)-2-tri(propan-2-yl)silylethenyl]azepan-2-one?
The InChIKey is JILMHHNYGVSUFA-GZKZCVOOSA-N. The full InChI is InChI=1S/C18H35NO2Si/c1-14(2)22(15(3)4,16(5)6)13-12-17-10-8-9-11-18(20)19(17)21-7/h12-17H,8-11H2,1-7H3/b13-12+/t17-/m1/s1.
What are the key properties of (7R)-1-methoxy-7-[(E)-2-tri(propan-2-yl)silylethenyl]azepan-2-one?
(7R)-1-methoxy-7-[(E)-2-tri(propan-2-yl)silylethenyl]azepan-2-one has a molecular weight of 325.57 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-methoxy-7-[(E)-2-tri(propan-2-yl)silylethenyl]azepan-2-one is sourced from PubChem (CID 102485116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).