(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(5-hydroxypent-2-ynyl)-4-(3-trimethylsilylprop-2-ynyl)azetidin-2-one

C20H35NO2Si2 — CID 10738381

IUPAC(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(5-hydroxypent-2-ynyl)-4-(3-trimethylsilylprop-2-ynyl)azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)N1C(=O)[C@@H](CC#CCCO)[C@@H]1CC#C[Si](C)(C)C
InChIInChI=1S/C20H35NO2Si2/c1-20(2,3)25(7,8)21-18(14-12-16-24(4,5)6)17(19(21)23)13-10-9-11-15-22/h17-18,22H,11,13-15H2,1-8H3/t17-,18-/m0/s1
InChIKeyFEQOSZYQFIFQLQ-ROUUACIJSA-N
MW377.68 g/mol
LogP3.87
Rot. Bonds4

About (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(5-hydroxypent-2-ynyl)-4-(3-trimethylsilylprop-2-ynyl)azetidin-2-one

(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(5-hydroxypent-2-ynyl)-4-(3-trimethylsilylprop-2-ynyl)azetidin-2-one (PubChem CID 10738381) has the molecular formula C20H35NO2Si2 and a molecular weight of 377.68 g/mol. Its IUPAC name is (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(5-hydroxypent-2-ynyl)-4-(3-trimethylsilylprop-2-ynyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(5-hydroxypent-2-ynyl)-4-(3-trimethylsilylprop-2-ynyl)azetidin-2-one
PubChem CID10738381
Molecular FormulaC20H35NO2Si2
Molecular Weight377.68 g/mol
Exact Mass377.22
IUPAC Name(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(5-hydroxypent-2-ynyl)-4-(3-trimethylsilylprop-2-ynyl)azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)N1C(=O)[C@@H](CC#CCCO)[C@@H]1CC#C[Si](C)(C)C
InChIInChI=1S/C20H35NO2Si2/c1-20(2,3)25(7,8)21-18(14-12-16-24(4,5)6)17(19(21)23)13-10-9-11-15-22/h17-18,22H,11,13-15H2,1-8H3/t17-,18-/m0/s1
InChIKeyFEQOSZYQFIFQLQ-ROUUACIJSA-N
XLogP3.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.68
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(5-hydroxypent-2-ynyl)-4-(3-trimethylsilylprop-2-ynyl)azetidin-2-one?
The IUPAC name of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(5-hydroxypent-2-ynyl)-4-(3-trimethylsilylprop-2-ynyl)azetidin-2-one (CID 10738381) is (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(5-hydroxypent-2-ynyl)-4-(3-trimethylsilylprop-2-ynyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(5-hydroxypent-2-ynyl)-4-(3-trimethylsilylprop-2-ynyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(5-hydroxypent-2-ynyl)-4-(3-trimethylsilylprop-2-ynyl)azetidin-2-one is CC(C)(C)[Si](C)(C)N1C(=O)[C@@H](CC#CCCO)[C@@H]1CC#C[Si](C)(C)C.
What is the InChIKey of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(5-hydroxypent-2-ynyl)-4-(3-trimethylsilylprop-2-ynyl)azetidin-2-one?
The InChIKey is FEQOSZYQFIFQLQ-ROUUACIJSA-N. The full InChI is InChI=1S/C20H35NO2Si2/c1-20(2,3)25(7,8)21-18(14-12-16-24(4,5)6)17(19(21)23)13-10-9-11-15-22/h17-18,22H,11,13-15H2,1-8H3/t17-,18-/m0/s1.
What are the key properties of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(5-hydroxypent-2-ynyl)-4-(3-trimethylsilylprop-2-ynyl)azetidin-2-one?
(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(5-hydroxypent-2-ynyl)-4-(3-trimethylsilylprop-2-ynyl)azetidin-2-one has a molecular weight of 377.68 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(5-hydroxypent-2-ynyl)-4-(3-trimethylsilylprop-2-ynyl)azetidin-2-one is sourced from PubChem (CID 10738381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).