(2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-propyloxane-3,4-diol

C15H28O5 — CID 46885408

IUPAC(2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-propyloxane-3,4-diol
SMILESCCC[C@H]1[C@@H](OC2CCCCC2)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H28O5/c1-2-6-11-13(17)14(18)12(9-16)20-15(11)19-10-7-4-3-5-8-10/h10-18H,2-9H2,1H3/t11-,12-,13-,14-,15+/m1/s1
InChIKeyVLMLGSXLIFLFAE-RYPNDVFKSA-N
MW288.38 g/mol
LogP1.19
Rot. Bonds5

About (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-propyloxane-3,4-diol

(2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-propyloxane-3,4-diol (PubChem CID 46885408) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-propyloxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-propyloxane-3,4-diol
PubChem CID46885408
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Name(2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-propyloxane-3,4-diol
SMILESCCC[C@H]1[C@@H](OC2CCCCC2)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H28O5/c1-2-6-11-13(17)14(18)12(9-16)20-15(11)19-10-7-4-3-5-8-10/h10-18H,2-9H2,1H3/t11-,12-,13-,14-,15+/m1/s1
InChIKeyVLMLGSXLIFLFAE-RYPNDVFKSA-N
XLogP1.19
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-propyloxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-propyloxane-3,4-diol (CID 46885408) is (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-propyloxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-propyloxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-propyloxane-3,4-diol is CCC[C@H]1[C@@H](OC2CCCCC2)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-propyloxane-3,4-diol?
The InChIKey is VLMLGSXLIFLFAE-RYPNDVFKSA-N. The full InChI is InChI=1S/C15H28O5/c1-2-6-11-13(17)14(18)12(9-16)20-15(11)19-10-7-4-3-5-8-10/h10-18H,2-9H2,1H3/t11-,12-,13-,14-,15+/m1/s1.
What are the key properties of (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-propyloxane-3,4-diol?
(2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-propyloxane-3,4-diol has a molecular weight of 288.38 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-propyloxane-3,4-diol is sourced from PubChem (CID 46885408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).