cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxyhexanoate

C18H36O3Si — CID 10042177

IUPACcyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxyhexanoate
SMILESCCC[C@H](O)[C@H](C(=O)OC1CCCCC1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-7-11-15(19)16(22(5,6)18(2,3)4)17(20)21-14-12-9-8-10-13-14/h14-16,19H,7-13H2,1-6H3/t15-,16+/m0/s1
InChIKeyGMRREZFZAQKFGJ-JKSUJKDBSA-N
MW328.57 g/mol
LogP4.90
Rot. Bonds6

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

cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxyhexanoate (PubChem CID 10042177) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxyhexanoate.

Molecular Properties

Compound Namecyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxyhexanoate
PubChem CID10042177
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Namecyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxyhexanoate
SMILESCCC[C@H](O)[C@H](C(=O)OC1CCCCC1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-7-11-15(19)16(22(5,6)18(2,3)4)17(20)21-14-12-9-8-10-13-14/h14-16,19H,7-13H2,1-6H3/t15-,16+/m0/s1
InChIKeyGMRREZFZAQKFGJ-JKSUJKDBSA-N
XLogP4.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.90
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-hydroxyhexanoate?
The IUPAC name of cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxyhexanoate (CID 10042177) is cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxyhexanoate.
What is the SMILES notation for cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxyhexanoate?
The canonical SMILES for cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxyhexanoate is CCC[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-hydroxyhexanoate?
The InChIKey is GMRREZFZAQKFGJ-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-7-11-15(19)16(22(5,6)18(2,3)4)17(20)21-14-12-9-8-10-13-14/h14-16,19H,7-13H2,1-6H3/t15-,16+/m0/s1.
What are the key properties of cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxyhexanoate?
cyclohexyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]-3-hydroxyhexanoate has a molecular weight of 328.57 g/mol, XLogP of 4.90, 6 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-hydroxyhexanoate is sourced from PubChem (CID 10042177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).