(1R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohexan-1-ol

C13H28O2Si — CID 10944674

IUPAC(1R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-10-7-8-11(14)9-12(10)15-16(5,6)13(2,3)4/h10-12,14H,7-9H2,1-6H3/t10-,11-,12+/m1/s1
InChIKeyHTELFNFPODCCRX-UTUOFQBUSA-N
MW244.45 g/mol
LogP3.56
Rot. Bonds2

About (1R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohexan-1-ol

(1R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohexan-1-ol (PubChem CID 10944674) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (1R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohexan-1-ol
PubChem CID10944674
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(1R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-10-7-8-11(14)9-12(10)15-16(5,6)13(2,3)4/h10-12,14H,7-9H2,1-6H3/t10-,11-,12+/m1/s1
InChIKeyHTELFNFPODCCRX-UTUOFQBUSA-N
XLogP3.56
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 ≤ 53.56
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 (1R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohexan-1-ol?
The IUPAC name of (1R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohexan-1-ol (CID 10944674) is (1R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohexan-1-ol.
What is the SMILES notation for (1R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohexan-1-ol?
The canonical SMILES for (1R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohexan-1-ol is C[C@@H]1CC[C@@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohexan-1-ol?
The InChIKey is HTELFNFPODCCRX-UTUOFQBUSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-10-7-8-11(14)9-12(10)15-16(5,6)13(2,3)4/h10-12,14H,7-9H2,1-6H3/t10-,11-,12+/m1/s1.
What are the key properties of (1R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohexan-1-ol?
(1R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohexan-1-ol has a molecular weight of 244.45 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohexan-1-ol is sourced from PubChem (CID 10944674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).