cis-propan-2-yl (1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate

C16H32O3Si — CID 140826034

IUPACcis-propan-2-yl (1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate
SMILESCC(C)OC(=O)[C@H]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H32O3Si/c1-12(2)18-15(17)13-9-8-10-14(11-13)19-20(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3/t13-,14+/m0/s1
InChIKeyBQMYIZIELSKAQD-UONOGXRCSA-N
MW300.51 g/mol
LogP4.52
Rot. Bonds4

About cis-propan-2-yl (1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate

cis-propan-2-yl (1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate (PubChem CID 140826034) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is cis-propan-2-yl (1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-propan-2-yl (1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate
PubChem CID140826034
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Namecis-propan-2-yl (1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate
SMILESCC(C)OC(=O)[C@H]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H32O3Si/c1-12(2)18-15(17)13-9-8-10-14(11-13)19-20(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3/t13-,14+/m0/s1
InChIKeyBQMYIZIELSKAQD-UONOGXRCSA-N
XLogP4.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-propan-2-yl (1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate?
The IUPAC name of cis-propan-2-yl (1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate (CID 140826034) is cis-propan-2-yl (1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate.
What is the SMILES notation for cis-propan-2-yl (1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate?
The canonical SMILES for cis-propan-2-yl (1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate is CC(C)OC(=O)[C@H]1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of cis-propan-2-yl (1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate?
The InChIKey is BQMYIZIELSKAQD-UONOGXRCSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-12(2)18-15(17)13-9-8-10-14(11-13)19-20(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3/t13-,14+/m0/s1.
What are the key properties of cis-propan-2-yl (1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate?
cis-propan-2-yl (1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate has a molecular weight of 300.51 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-propan-2-yl (1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carboxylate is sourced from PubChem (CID 140826034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).