(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol

C14H28O3Si — CID 89472494

IUPAC(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol
SMILESC=C1[C@H](O)C[C@@](C)(O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-10-11(15)8-14(5,16)9-12(10)17-18(6,7)13(2,3)4/h11-12,15-16H,1,8-9H2,2-7H3/t11-,12-,14-/m1/s1
InChIKeyHORDOYYQVAROMZ-YRGRVCCFSA-N
MW272.46 g/mol
LogP2.84
Rot. Bonds2

About (1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol

(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol (PubChem CID 89472494) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is (1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol.

Molecular Properties

Compound Name(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol
PubChem CID89472494
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol
SMILESC=C1[C@H](O)C[C@@](C)(O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-10-11(15)8-14(5,16)9-12(10)17-18(6,7)13(2,3)4/h11-12,15-16H,1,8-9H2,2-7H3/t11-,12-,14-/m1/s1
InChIKeyHORDOYYQVAROMZ-YRGRVCCFSA-N
XLogP2.84
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol?
The IUPAC name of (1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol (CID 89472494) is (1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol.
What is the SMILES notation for (1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol?
The canonical SMILES for (1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol is C=C1[C@H](O)C[C@@](C)(O)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol?
The InChIKey is HORDOYYQVAROMZ-YRGRVCCFSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-10-11(15)8-14(5,16)9-12(10)17-18(6,7)13(2,3)4/h11-12,15-16H,1,8-9H2,2-7H3/t11-,12-,14-/m1/s1.
What are the key properties of (1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol?
(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol has a molecular weight of 272.46 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol is sourced from PubChem (CID 89472494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).