(2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol

C10H18O4 — CID 10058665

IUPAC(2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
SMILESOC[C@@H]1C[C@@H](O)C[C@@]2(CCCCO2)O1
InChIInChI=1S/C10H18O4/c11-7-9-5-8(12)6-10(14-9)3-1-2-4-13-10/h8-9,11-12H,1-7H2/t8-,9+,10-/m1/s1
InChIKeyZBLAPRYUDXNNTL-KXUCPTDWSA-N
MW202.25 g/mol
LogP0.42
Rot. Bonds1

About (2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol

(2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol (PubChem CID 10058665) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name(2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
PubChem CID10058665
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
SMILESOC[C@@H]1C[C@@H](O)C[C@@]2(CCCCO2)O1
InChIInChI=1S/C10H18O4/c11-7-9-5-8(12)6-10(14-9)3-1-2-4-13-10/h8-9,11-12H,1-7H2/t8-,9+,10-/m1/s1
InChIKeyZBLAPRYUDXNNTL-KXUCPTDWSA-N
XLogP0.42
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol
CID 13363042
1,6-dioxaspiro[4.5]decan-9-ol
CID 10975764
(5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol
CID 130857690
1,10-dioxaspiro[4.5]decan-2-ol
CID 130129338
3-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]propan-1-ol
CID 155931444
1,7-dioxaspiro[5.5]undec-2-en-4-ol
CID 14263737
[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
CID 10986806
(5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol
CID 15162522
(2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol
CID 130917673
(2S,4R,5S,6R)-2-(2-hydroxyethyl)-1,7-dioxaspiro[5.5]undecane-4,5-diol
CID 23723024
7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol
CID 24828450
(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
CID 129156956

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol?
The IUPAC name of (2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol (CID 10058665) is (2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol.
What is the SMILES notation for (2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol?
The canonical SMILES for (2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol is OC[C@@H]1C[C@@H](O)C[C@@]2(CCCCO2)O1.
What is the InChIKey of (2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol?
The InChIKey is ZBLAPRYUDXNNTL-KXUCPTDWSA-N. The full InChI is InChI=1S/C10H18O4/c11-7-9-5-8(12)6-10(14-9)3-1-2-4-13-10/h8-9,11-12H,1-7H2/t8-,9+,10-/m1/s1.
What are the key properties of (2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol?
(2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol has a molecular weight of 202.25 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6R)-2-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 10058665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).