[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methanol

C13H28O2Si — CID 14172798

IUPAC[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1CO
InChIInChI=1S/C13H28O2Si/c1-13(2,3)16(4,5)15-12-9-7-6-8-11(12)10-14/h11-12,14H,6-10H2,1-5H3/t11-,12+/m0/s1
InChIKeyRRLGSESJSQXNHX-NWDGAFQWSA-N
MW244.45 g/mol
LogP3.56
Rot. Bonds3

About [(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methanol

[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methanol (PubChem CID 14172798) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is [(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methanol
PubChem CID14172798
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1CO
InChIInChI=1S/C13H28O2Si/c1-13(2,3)16(4,5)15-12-9-7-6-8-11(12)10-14/h11-12,14H,6-10H2,1-5H3/t11-,12+/m0/s1
InChIKeyRRLGSESJSQXNHX-NWDGAFQWSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.56
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 [(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methanol?
The IUPAC name of [(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methanol (CID 14172798) is [(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methanol.
What is the SMILES notation for [(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methanol?
The canonical SMILES for [(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methanol is CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1CO.
What is the InChIKey of [(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methanol?
The InChIKey is RRLGSESJSQXNHX-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-13(2,3)16(4,5)15-12-9-7-6-8-11(12)10-14/h11-12,14H,6-10H2,1-5H3/t11-,12+/m0/s1.
What are the key properties of [(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methanol?
[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methanol has a molecular weight of 244.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methanol is sourced from PubChem (CID 14172798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).