cis-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-methylcyclohexan-1-ol

C15H28OSi — CID 162494718

IUPACcis-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-methylcyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)C#C[C@@]1(C)CCCC[C@H]1O
InChIInChI=1S/C15H28OSi/c1-14(2,3)17(5,6)12-11-15(4)10-8-7-9-13(15)16/h13,16H,7-10H2,1-6H3/t13-,15-/m1/s1
InChIKeyFEVSHIWFVOEBND-UKRRQHHQSA-N
MW252.47 g/mol
LogP3.98
Rot. Bonds

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

cis-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-methylcyclohexan-1-ol (PubChem CID 162494718) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is cis-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-methylcyclohexan-1-ol
PubChem CID162494718
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Namecis-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-methylcyclohexan-1-ol
SMILESCC(C)(C)[Si](C)(C)C#C[C@@]1(C)CCCC[C@H]1O
InChIInChI=1S/C15H28OSi/c1-14(2,3)17(5,6)12-11-15(4)10-8-7-9-13(15)16/h13,16H,7-10H2,1-6H3/t13-,15-/m1/s1
InChIKeyFEVSHIWFVOEBND-UKRRQHHQSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-methylcyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-methylcyclohexan-1-ol (CID 162494718) is cis-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-methylcyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-methylcyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-methylcyclohexan-1-ol is CC(C)(C)[Si](C)(C)C#C[C@@]1(C)CCCC[C@H]1O.
What is the InChIKey of cis-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-methylcyclohexan-1-ol?
The InChIKey is FEVSHIWFVOEBND-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H28OSi/c1-14(2,3)17(5,6)12-11-15(4)10-8-7-9-13(15)16/h13,16H,7-10H2,1-6H3/t13-,15-/m1/s1.
What are the key properties of cis-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-methylcyclohexan-1-ol?
cis-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-methylcyclohexan-1-ol has a molecular weight of 252.47 g/mol, XLogP of 3.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-methylcyclohexan-1-ol is sourced from PubChem (CID 162494718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).