(2S,5R,6R)-2-(hydroxymethyl)-1-oxaspiro[4.5]decan-6-ol

C10H18O3 — CID 101238340

IUPAC(2S,5R,6R)-2-(hydroxymethyl)-1-oxaspiro[4.5]decan-6-ol
SMILESOC[C@@H]1CC[C@@]2(CCCC[C@H]2O)O1
InChIInChI=1S/C10H18O3/c11-7-8-4-6-10(13-8)5-2-1-3-9(10)12/h8-9,11-12H,1-7H2/t8-,9+,10+/m0/s1
InChIKeyRUUIZCXAKKIVSU-IVZWLZJFSA-N
MW186.25 g/mol
LogP0.83
Rot. Bonds1

About (2S,5R,6R)-2-(hydroxymethyl)-1-oxaspiro[4.5]decan-6-ol

(2S,5R,6R)-2-(hydroxymethyl)-1-oxaspiro[4.5]decan-6-ol (PubChem CID 101238340) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S,5R,6R)-2-(hydroxymethyl)-1-oxaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name(2S,5R,6R)-2-(hydroxymethyl)-1-oxaspiro[4.5]decan-6-ol
PubChem CID101238340
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2S,5R,6R)-2-(hydroxymethyl)-1-oxaspiro[4.5]decan-6-ol
SMILESOC[C@@H]1CC[C@@]2(CCCC[C@H]2O)O1
InChIInChI=1S/C10H18O3/c11-7-8-4-6-10(13-8)5-2-1-3-9(10)12/h8-9,11-12H,1-7H2/t8-,9+,10+/m0/s1
InChIKeyRUUIZCXAKKIVSU-IVZWLZJFSA-N
XLogP0.83
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5R,6R)-2-(hydroxymethyl)-1-oxaspiro[4.5]decan-6-ol?
The IUPAC name of (2S,5R,6R)-2-(hydroxymethyl)-1-oxaspiro[4.5]decan-6-ol (CID 101238340) is (2S,5R,6R)-2-(hydroxymethyl)-1-oxaspiro[4.5]decan-6-ol.
What is the SMILES notation for (2S,5R,6R)-2-(hydroxymethyl)-1-oxaspiro[4.5]decan-6-ol?
The canonical SMILES for (2S,5R,6R)-2-(hydroxymethyl)-1-oxaspiro[4.5]decan-6-ol is OC[C@@H]1CC[C@@]2(CCCC[C@H]2O)O1.
What is the InChIKey of (2S,5R,6R)-2-(hydroxymethyl)-1-oxaspiro[4.5]decan-6-ol?
The InChIKey is RUUIZCXAKKIVSU-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H18O3/c11-7-8-4-6-10(13-8)5-2-1-3-9(10)12/h8-9,11-12H,1-7H2/t8-,9+,10+/m0/s1.
What are the key properties of (2S,5R,6R)-2-(hydroxymethyl)-1-oxaspiro[4.5]decan-6-ol?
(2S,5R,6R)-2-(hydroxymethyl)-1-oxaspiro[4.5]decan-6-ol has a molecular weight of 186.25 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R,6R)-2-(hydroxymethyl)-1-oxaspiro[4.5]decan-6-ol is sourced from PubChem (CID 101238340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).