1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol

C13H28O2Si — CID 67592724

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol
SMILESCC1CCCCC1(O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-11-9-7-8-10-13(11,14)15-16(5,6)12(2,3)4/h11,14H,7-10H2,1-6H3
InChIKeyPJNAIPJFVTWHIY-UHFFFAOYSA-N
MW244.45 g/mol
LogP3.91
Rot. Bonds2

About 1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol

1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol (PubChem CID 67592724) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol
PubChem CID67592724
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol
SMILESCC1CCCCC1(O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-11-9-7-8-10-13(11,14)15-16(5,6)12(2,3)4/h11,14H,7-10H2,1-6H3
InChIKeyPJNAIPJFVTWHIY-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol (CID 67592724) is 1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol is CC1CCCCC1(O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol?
The InChIKey is PJNAIPJFVTWHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-11-9-7-8-10-13(11,14)15-16(5,6)12(2,3)4/h11,14H,7-10H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol?
1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol has a molecular weight of 244.45 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol is sourced from PubChem (CID 67592724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).