(3S,4S)-3-chloro-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one

C16H32ClNO2Si — CID 101045008

IUPAC(3S,4S)-3-chloro-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one
SMILESCC(C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1NC(=O)[C@H]1Cl
InChIInChI=1S/C16H32ClNO2Si/c1-9(2)15(14-13(17)16(19)18-14)20-21(10(3)4,11(5)6)12(7)8/h9-15H,1-8H3,(H,18,19)/t13-,14+,15-/m0/s1
InChIKeyUQVBYGOKDSFTHL-ZNMIVQPWSA-N
MW333.98 g/mol
LogP4.31
Rot. Bonds7

About (3S,4S)-3-chloro-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one

(3S,4S)-3-chloro-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one (PubChem CID 101045008) has the molecular formula C16H32ClNO2Si and a molecular weight of 333.98 g/mol. Its IUPAC name is (3S,4S)-3-chloro-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-chloro-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one
PubChem CID101045008
Molecular FormulaC16H32ClNO2Si
Molecular Weight333.98 g/mol
Exact Mass333.19
IUPAC Name(3S,4S)-3-chloro-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one
SMILESCC(C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1NC(=O)[C@H]1Cl
InChIInChI=1S/C16H32ClNO2Si/c1-9(2)15(14-13(17)16(19)18-14)20-21(10(3)4,11(5)6)12(7)8/h9-15H,1-8H3,(H,18,19)/t13-,14+,15-/m0/s1
InChIKeyUQVBYGOKDSFTHL-ZNMIVQPWSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.98
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-chloro-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one?
The IUPAC name of (3S,4S)-3-chloro-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one (CID 101045008) is (3S,4S)-3-chloro-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-chloro-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one?
The canonical SMILES for (3S,4S)-3-chloro-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one is CC(C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1NC(=O)[C@H]1Cl.
What is the InChIKey of (3S,4S)-3-chloro-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one?
The InChIKey is UQVBYGOKDSFTHL-ZNMIVQPWSA-N. The full InChI is InChI=1S/C16H32ClNO2Si/c1-9(2)15(14-13(17)16(19)18-14)20-21(10(3)4,11(5)6)12(7)8/h9-15H,1-8H3,(H,18,19)/t13-,14+,15-/m0/s1.
What are the key properties of (3S,4S)-3-chloro-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one?
(3S,4S)-3-chloro-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one has a molecular weight of 333.98 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-chloro-4-[(1S)-2-methyl-1-tri(propan-2-yl)silyloxypropyl]azetidin-2-one is sourced from PubChem (CID 101045008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).