cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylic acid

C13H26O3Si — CID 69242287

IUPACcis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-11-8-6-7-10(9-11)12(14)15/h10-11H,6-9H2,1-5H3,(H,14,15)/t10-,11+/m0/s1
InChIKeyCPYHAPIIQQDVHP-WDEREUQCSA-N
MW258.43 g/mol
LogP3.65
Rot. Bonds3

About cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylic acid

cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylic acid (PubChem CID 69242287) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylic acid
PubChem CID69242287
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Namecis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-11-8-6-7-10(9-11)12(14)15/h10-11H,6-9H2,1-5H3,(H,14,15)/t10-,11+/m0/s1
InChIKeyCPYHAPIIQQDVHP-WDEREUQCSA-N
XLogP3.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
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 cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylic acid (CID 69242287) is cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylic acid is CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylic acid?
The InChIKey is CPYHAPIIQQDVHP-WDEREUQCSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-11-8-6-7-10(9-11)12(14)15/h10-11H,6-9H2,1-5H3,(H,14,15)/t10-,11+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylic acid?
cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylic acid has a molecular weight of 258.43 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 69242287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).