[3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclobutyl] carbamate

C13H23NO3Si — CID 175168819

IUPAC[3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclobutyl] carbamate
SMILESC#CC1(OC(N)=O)CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H23NO3Si/c1-7-13(16-11(14)15)8-10(9-13)17-18(5,6)12(2,3)4/h1,10H,8-9H2,2-6H3,(H2,14,15)
InChIKeyZSIDGRHJMQIGKS-UHFFFAOYSA-N
MW269.42 g/mol
LogP2.64
Rot. Bonds3

About [3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclobutyl] carbamate

[3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclobutyl] carbamate (PubChem CID 175168819) has the molecular formula C13H23NO3Si and a molecular weight of 269.42 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclobutyl] carbamate.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclobutyl] carbamate
PubChem CID175168819
Molecular FormulaC13H23NO3Si
Molecular Weight269.42 g/mol
Exact Mass269.14
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclobutyl] carbamate
SMILESC#CC1(OC(N)=O)CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H23NO3Si/c1-7-13(16-11(14)15)8-10(9-13)17-18(5,6)12(2,3)4/h1,10H,8-9H2,2-6H3,(H2,14,15)
InChIKeyZSIDGRHJMQIGKS-UHFFFAOYSA-N
XLogP2.64
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxamide;ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclobutane-1-carboxylate
CID 158231252
4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid
CID 175981383
ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 141450623
[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]carbamic acid
CID 141358006
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylic acid
CID 160745300
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidin-1-ide-2-carboxylate
CID 91868283
1-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethyloxan-2-yl]ethanone
CID 10924589
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylate
CID 157320752
[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
CID 54211622
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488
ethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enoate
CID 175199551
tert-butyl-[[(1R,3S,6S)-6-[(E)-2-chloroethenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]-dimethylsilane
CID 11174924

Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclobutyl] carbamate?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclobutyl] carbamate (CID 175168819) is [3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclobutyl] carbamate.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclobutyl] carbamate?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclobutyl] carbamate is C#CC1(OC(N)=O)CC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclobutyl] carbamate?
The InChIKey is ZSIDGRHJMQIGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3Si/c1-7-13(16-11(14)15)8-10(9-13)17-18(5,6)12(2,3)4/h1,10H,8-9H2,2-6H3,(H2,14,15).
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclobutyl] carbamate?
[3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclobutyl] carbamate has a molecular weight of 269.42 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxy-1-ethynylcyclobutyl] carbamate is sourced from PubChem (CID 175168819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).