(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol

C8H14O3 — CID 95335760

IUPAC(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol
SMILESO[C@H]1CCO[C@@]2(CCOC2)C1
InChIInChI=1S/C8H14O3/c9-7-1-3-11-8(5-7)2-4-10-6-8/h7,9H,1-6H2/t7-,8-/m0/s1
InChIKeyKQNMYMQMKJZLAB-YUMQZZPRSA-N
MW158.20 g/mol
LogP0.32
Rot. Bonds

About (5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol

(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol (PubChem CID 95335760) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol.

Molecular Properties

Compound Name(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol
PubChem CID95335760
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol
SMILESO[C@H]1CCO[C@@]2(CCOC2)C1
InChIInChI=1S/C8H14O3/c9-7-1-3-11-8(5-7)2-4-10-6-8/h7,9H,1-6H2/t7-,8-/m0/s1
InChIKeyKQNMYMQMKJZLAB-YUMQZZPRSA-N
XLogP0.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S,9S)-2,6-dioxaspiro[4.5]decan-9-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

9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 56760832
1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912746
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
9-amino-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 121202469
(5R,9S)-6-oxa-2-azaspiro[4.5]decan-9-ol
CID 129497505
2,6-dioxaspiro[4.5]decane-9-carboximidamide
CID 79906061
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116550718
2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone
CID 103447799
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol
CID 79919999
1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 79894036

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol?
The IUPAC name of (5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol (CID 95335760) is (5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol.
What is the SMILES notation for (5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol?
The canonical SMILES for (5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol is O[C@H]1CCO[C@@]2(CCOC2)C1.
What is the InChIKey of (5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol?
The InChIKey is KQNMYMQMKJZLAB-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14O3/c9-7-1-3-11-8(5-7)2-4-10-6-8/h7,9H,1-6H2/t7-,8-/m0/s1.
What are the key properties of (5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol?
(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol has a molecular weight of 158.20 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol is sourced from PubChem (CID 95335760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).