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

C13H28O2Si — CID 58012751

IUPACcis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCCC[C@@H]1O
InChIInChI=1S/C13H28O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11(12)14/h11-12,14H,6-10H2,1-5H3/t11-,12+/m0/s1
InChIKeySMCSRAQLFXKALG-NWDGAFQWSA-N
MW244.45 g/mol
LogP3.70
Rot. Bonds2

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

cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-ol (PubChem CID 58012751) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-ol
PubChem CID58012751
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Namecis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCCC[C@@H]1O
InChIInChI=1S/C13H28O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11(12)14/h11-12,14H,6-10H2,1-5H3/t11-,12+/m0/s1
InChIKeySMCSRAQLFXKALG-NWDGAFQWSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.70
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]oxycycloheptan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-ol (CID 58012751) is cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-ol is CC(C)(C)[Si](C)(C)O[C@@H]1CCCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-ol?
The InChIKey is SMCSRAQLFXKALG-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11(12)14/h11-12,14H,6-10H2,1-5H3/t11-,12+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-ol?
cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-ol has a molecular weight of 244.45 g/mol, XLogP of 3.70, 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]oxycycloheptan-1-ol is sourced from PubChem (CID 58012751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).