3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-prop-2-enylazetidin-2-one

C14H27NO2Si — CID 173344404

IUPAC3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-prop-2-enylazetidin-2-one
SMILESC=CCC1NC(=O)C1[C@@H](CO[SiH](C)C)C(C)(C)C
InChIInChI=1S/C14H27NO2Si/c1-7-8-11-12(13(16)15-11)10(14(2,3)4)9-17-18(5)6/h7,10-12,18H,1,8-9H2,2-6H3,(H,15,16)/t10-,11?,12?/m1/s1
InChIKeyGPTXRFGMHKHQDS-VOMCLLRMSA-N
MW269.46 g/mol
LogP2.34
Rot. Bonds6

About 3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-prop-2-enylazetidin-2-one

3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-prop-2-enylazetidin-2-one (PubChem CID 173344404) has the molecular formula C14H27NO2Si and a molecular weight of 269.46 g/mol. Its IUPAC name is 3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-prop-2-enylazetidin-2-one
PubChem CID173344404
Molecular FormulaC14H27NO2Si
Molecular Weight269.46 g/mol
Exact Mass269.18
IUPAC Name3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-prop-2-enylazetidin-2-one
SMILESC=CCC1NC(=O)C1[C@@H](CO[SiH](C)C)C(C)(C)C
InChIInChI=1S/C14H27NO2Si/c1-7-8-11-12(13(16)15-11)10(14(2,3)4)9-17-18(5)6/h7,10-12,18H,1,8-9H2,2-6H3,(H,15,16)/t10-,11?,12?/m1/s1
InChIKeyGPTXRFGMHKHQDS-VOMCLLRMSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-prop-2-enylazetidin-2-one?
The IUPAC name of 3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-prop-2-enylazetidin-2-one (CID 173344404) is 3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-prop-2-enylazetidin-2-one.
What is the SMILES notation for 3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-prop-2-enylazetidin-2-one?
The canonical SMILES for 3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-prop-2-enylazetidin-2-one is C=CCC1NC(=O)C1[C@@H](CO[SiH](C)C)C(C)(C)C.
What is the InChIKey of 3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-prop-2-enylazetidin-2-one?
The InChIKey is GPTXRFGMHKHQDS-VOMCLLRMSA-N. The full InChI is InChI=1S/C14H27NO2Si/c1-7-8-11-12(13(16)15-11)10(14(2,3)4)9-17-18(5)6/h7,10-12,18H,1,8-9H2,2-6H3,(H,15,16)/t10-,11?,12?/m1/s1.
What are the key properties of 3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-prop-2-enylazetidin-2-one?
3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-prop-2-enylazetidin-2-one has a molecular weight of 269.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-prop-2-enylazetidin-2-one is sourced from PubChem (CID 173344404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).