cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-ol

C14H30O2Si — CID 58012741

IUPACcis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCCCC[C@@H]1O
InChIInChI=1S/C14H30O2Si/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12(13)15/h12-13,15H,6-11H2,1-5H3/t12-,13+/m0/s1
InChIKeyZJDWCCUONISVEJ-QWHCGFSZSA-N
MW258.48 g/mol
LogP4.09
Rot. Bonds2

About cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-ol

cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-ol (PubChem CID 58012741) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-ol
PubChem CID58012741
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Namecis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCCCC[C@@H]1O
InChIInChI=1S/C14H30O2Si/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12(13)15/h12-13,15H,6-11H2,1-5H3/t12-,13+/m0/s1
InChIKeyZJDWCCUONISVEJ-QWHCGFSZSA-N
XLogP4.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.09
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,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-ol (CID 58012741) is cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-ol is CC(C)(C)[Si](C)(C)O[C@@H]1CCCCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-ol?
The InChIKey is ZJDWCCUONISVEJ-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12(13)15/h12-13,15H,6-11H2,1-5H3/t12-,13+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-ol?
cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-ol has a molecular weight of 258.48 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclooctan-1-ol is sourced from PubChem (CID 58012741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).