(3R,4S)-3-(hydroxymethyl)-1-oxaspiro[4.5]decan-4-ol

C10H18O3 — CID 25257315

IUPAC(3R,4S)-3-(hydroxymethyl)-1-oxaspiro[4.5]decan-4-ol
SMILESOC[C@@H]1COC2(CCCCC2)[C@H]1O
InChIInChI=1S/C10H18O3/c11-6-8-7-13-10(9(8)12)4-2-1-3-5-10/h8-9,11-12H,1-7H2/t8-,9+/m1/s1
InChIKeyTULGHZSTIGBCGV-BDAKNGLRSA-N
MW186.25 g/mol
LogP0.69
Rot. Bonds1

About (3R,4S)-3-(hydroxymethyl)-1-oxaspiro[4.5]decan-4-ol

(3R,4S)-3-(hydroxymethyl)-1-oxaspiro[4.5]decan-4-ol (PubChem CID 25257315) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3R,4S)-3-(hydroxymethyl)-1-oxaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-(hydroxymethyl)-1-oxaspiro[4.5]decan-4-ol
PubChem CID25257315
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(3R,4S)-3-(hydroxymethyl)-1-oxaspiro[4.5]decan-4-ol
SMILESOC[C@@H]1COC2(CCCCC2)[C@H]1O
InChIInChI=1S/C10H18O3/c11-6-8-7-13-10(9(8)12)4-2-1-3-5-10/h8-9,11-12H,1-7H2/t8-,9+/m1/s1
InChIKeyTULGHZSTIGBCGV-BDAKNGLRSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-1-oxa-9-azaspiro[4.5]decane-3,4-diol
CID 178194845
3-methyl-1-oxaspiro[3.5]nonane
CID 10855548
4-oxaspiro[2.5]octane-6,7,8-triol
CID 123215793
(4S)-1-oxaspiro[4.5]decan-4-ol
CID 134985958
1-oxaspiro[3.4]octan-3-amine
CID 155895257
1-oxaspiro[5.5]undecan-11-ol
CID 69392634
1-[[4-(4-chlorophenyl)-1-oxaspiro[4.5]decan-3-yl]methyl]piperidine
CID 3061094
[(2R)-spiro[2.5]octan-2-yl]methanol
CID 129372228
[2-(2-azaspiro[3.5]nonan-2-yl)cyclohexyl]methanol
CID 114179212
(2S,5R,6R)-2-(hydroxymethyl)-1-oxaspiro[4.5]decan-6-ol
CID 101238340
3-[2-(hydroxymethyl)cyclohexyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 106364743
(2S,4R,5S,6R)-2-(2-hydroxyethyl)-1,7-dioxaspiro[5.5]undecane-4,5-diol
CID 23723024

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(hydroxymethyl)-1-oxaspiro[4.5]decan-4-ol?
The IUPAC name of (3R,4S)-3-(hydroxymethyl)-1-oxaspiro[4.5]decan-4-ol (CID 25257315) is (3R,4S)-3-(hydroxymethyl)-1-oxaspiro[4.5]decan-4-ol.
What is the SMILES notation for (3R,4S)-3-(hydroxymethyl)-1-oxaspiro[4.5]decan-4-ol?
The canonical SMILES for (3R,4S)-3-(hydroxymethyl)-1-oxaspiro[4.5]decan-4-ol is OC[C@@H]1COC2(CCCCC2)[C@H]1O.
What is the InChIKey of (3R,4S)-3-(hydroxymethyl)-1-oxaspiro[4.5]decan-4-ol?
The InChIKey is TULGHZSTIGBCGV-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18O3/c11-6-8-7-13-10(9(8)12)4-2-1-3-5-10/h8-9,11-12H,1-7H2/t8-,9+/m1/s1.
What are the key properties of (3R,4S)-3-(hydroxymethyl)-1-oxaspiro[4.5]decan-4-ol?
(3R,4S)-3-(hydroxymethyl)-1-oxaspiro[4.5]decan-4-ol has a molecular weight of 186.25 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(hydroxymethyl)-1-oxaspiro[4.5]decan-4-ol is sourced from PubChem (CID 25257315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).