cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-4,4-dimethylpentanoate

C19H38O3Si — CID 15936697

IUPACcyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-4,4-dimethylpentanoate
SMILESCC(C)(C)[C@H](O)[C@H](C(=O)OC1CCCCC1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-18(2,3)16(20)15(23(7,8)19(4,5)6)17(21)22-14-12-10-9-11-13-14/h14-16,20H,9-13H2,1-8H3/t15-,16-/m1/s1
InChIKeyJCGUKPRBKWSVEH-HZPDHXFCSA-N
MW342.60 g/mol
LogP5.15
Rot. Bonds4

About cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-4,4-dimethylpentanoate

cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-4,4-dimethylpentanoate (PubChem CID 15936697) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-4,4-dimethylpentanoate.

Molecular Properties

Compound Namecyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-4,4-dimethylpentanoate
PubChem CID15936697
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Namecyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-4,4-dimethylpentanoate
SMILESCC(C)(C)[C@H](O)[C@H](C(=O)OC1CCCCC1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-18(2,3)16(20)15(23(7,8)19(4,5)6)17(21)22-14-12-10-9-11-13-14/h14-16,20H,9-13H2,1-8H3/t15-,16-/m1/s1
InChIKeyJCGUKPRBKWSVEH-HZPDHXFCSA-N
XLogP5.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.15
H-Bond Donors ≤ 51
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 cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-4,4-dimethylpentanoate?
The IUPAC name of cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-4,4-dimethylpentanoate (CID 15936697) is cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-4,4-dimethylpentanoate.
What is the SMILES notation for cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-4,4-dimethylpentanoate?
The canonical SMILES for cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-4,4-dimethylpentanoate is CC(C)(C)[C@H](O)[C@H](C(=O)OC1CCCCC1)[Si](C)(C)C(C)(C)C.
What is the InChIKey of cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-4,4-dimethylpentanoate?
The InChIKey is JCGUKPRBKWSVEH-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-18(2,3)16(20)15(23(7,8)19(4,5)6)17(21)22-14-12-10-9-11-13-14/h14-16,20H,9-13H2,1-8H3/t15-,16-/m1/s1.
What are the key properties of cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-4,4-dimethylpentanoate?
cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-4,4-dimethylpentanoate has a molecular weight of 342.60 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-4,4-dimethylpentanoate is sourced from PubChem (CID 15936697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).