[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamic acid

C13H27NO3Si — CID 22567716

IUPAC[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCC(NC(=O)O)CC1
InChIInChI=1S/C13H27NO3Si/c1-13(2,3)18(4,5)17-11-8-6-10(7-9-11)14-12(15)16/h10-11,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyDGGUHCFTTSEXBN-UHFFFAOYSA-N
MW273.45 g/mol
LogP3.59
Rot. Bonds3

About [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamic acid

[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamic acid (PubChem CID 22567716) has the molecular formula C13H27NO3Si and a molecular weight of 273.45 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamic acid
PubChem CID22567716
Molecular FormulaC13H27NO3Si
Molecular Weight273.45 g/mol
Exact Mass273.18
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCC(NC(=O)O)CC1
InChIInChI=1S/C13H27NO3Si/c1-13(2,3)18(4,5)17-11-8-6-10(7-9-11)14-12(15)16/h10-11,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyDGGUHCFTTSEXBN-UHFFFAOYSA-N
XLogP3.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamic acid?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamic acid (CID 22567716) is [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamic acid.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamic acid?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamic acid is CC(C)(C)[Si](C)(C)OC1CCC(NC(=O)O)CC1.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamic acid?
The InChIKey is DGGUHCFTTSEXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3Si/c1-13(2,3)18(4,5)17-11-8-6-10(7-9-11)14-12(15)16/h10-11,14H,6-9H2,1-5H3,(H,15,16).
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamic acid?
[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamic acid has a molecular weight of 273.45 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamic acid is sourced from PubChem (CID 22567716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).