(1R,2R,6R)-1-(3-hydroxypropyl)-6-triethylsilyloxycyclohex-3-ene-1,2-diol

C15H30O4Si — CID 11483489

IUPAC(1R,2R,6R)-1-(3-hydroxypropyl)-6-triethylsilyloxycyclohex-3-ene-1,2-diol
SMILESCC[Si](CC)(CC)O[C@@H]1CC=C[C@@H](O)[C@]1(O)CCCO
InChIInChI=1S/C15H30O4Si/c1-4-20(5-2,6-3)19-14-10-7-9-13(17)15(14,18)11-8-12-16/h7,9,13-14,16-18H,4-6,8,10-12H2,1-3H3/t13-,14-,15-/m1/s1
InChIKeyBEQYPUAHXGDYHS-RBSFLKMASA-N
MW302.49 g/mol
LogP2.20
Rot. Bonds8

About (1R,2R,6R)-1-(3-hydroxypropyl)-6-triethylsilyloxycyclohex-3-ene-1,2-diol

(1R,2R,6R)-1-(3-hydroxypropyl)-6-triethylsilyloxycyclohex-3-ene-1,2-diol (PubChem CID 11483489) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is (1R,2R,6R)-1-(3-hydroxypropyl)-6-triethylsilyloxycyclohex-3-ene-1,2-diol.

Molecular Properties

Compound Name(1R,2R,6R)-1-(3-hydroxypropyl)-6-triethylsilyloxycyclohex-3-ene-1,2-diol
PubChem CID11483489
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name(1R,2R,6R)-1-(3-hydroxypropyl)-6-triethylsilyloxycyclohex-3-ene-1,2-diol
SMILESCC[Si](CC)(CC)O[C@@H]1CC=C[C@@H](O)[C@]1(O)CCCO
InChIInChI=1S/C15H30O4Si/c1-4-20(5-2,6-3)19-14-10-7-9-13(17)15(14,18)11-8-12-16/h7,9,13-14,16-18H,4-6,8,10-12H2,1-3H3/t13-,14-,15-/m1/s1
InChIKeyBEQYPUAHXGDYHS-RBSFLKMASA-N
XLogP2.20
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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,2R,6R)-1-(3-hydroxypropyl)-6-triethylsilyloxycyclohex-3-ene-1,2-diol?
The IUPAC name of (1R,2R,6R)-1-(3-hydroxypropyl)-6-triethylsilyloxycyclohex-3-ene-1,2-diol (CID 11483489) is (1R,2R,6R)-1-(3-hydroxypropyl)-6-triethylsilyloxycyclohex-3-ene-1,2-diol.
What is the SMILES notation for (1R,2R,6R)-1-(3-hydroxypropyl)-6-triethylsilyloxycyclohex-3-ene-1,2-diol?
The canonical SMILES for (1R,2R,6R)-1-(3-hydroxypropyl)-6-triethylsilyloxycyclohex-3-ene-1,2-diol is CC[Si](CC)(CC)O[C@@H]1CC=C[C@@H](O)[C@]1(O)CCCO.
What is the InChIKey of (1R,2R,6R)-1-(3-hydroxypropyl)-6-triethylsilyloxycyclohex-3-ene-1,2-diol?
The InChIKey is BEQYPUAHXGDYHS-RBSFLKMASA-N. The full InChI is InChI=1S/C15H30O4Si/c1-4-20(5-2,6-3)19-14-10-7-9-13(17)15(14,18)11-8-12-16/h7,9,13-14,16-18H,4-6,8,10-12H2,1-3H3/t13-,14-,15-/m1/s1.
What are the key properties of (1R,2R,6R)-1-(3-hydroxypropyl)-6-triethylsilyloxycyclohex-3-ene-1,2-diol?
(1R,2R,6R)-1-(3-hydroxypropyl)-6-triethylsilyloxycyclohex-3-ene-1,2-diol has a molecular weight of 302.49 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R)-1-(3-hydroxypropyl)-6-triethylsilyloxycyclohex-3-ene-1,2-diol is sourced from PubChem (CID 11483489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).