(5S,6S)-1,7-dioxaspiro[5.5]undec-3-en-5-ol

C9H14O3 — CID 10487354

IUPAC(5S,6S)-1,7-dioxaspiro[5.5]undec-3-en-5-ol
SMILESO[C@H]1C=CCO[C@@]12CCCCO2
InChIInChI=1S/C9H14O3/c10-8-4-3-7-12-9(8)5-1-2-6-11-9/h3-4,8,10H,1-2,5-7H2/t8-,9-/m0/s1
InChIKeyJZUMMFAUTNJDMI-IUCAKERBSA-N
MW170.21 g/mol
LogP0.83
Rot. Bonds

About (5S,6S)-1,7-dioxaspiro[5.5]undec-3-en-5-ol

(5S,6S)-1,7-dioxaspiro[5.5]undec-3-en-5-ol (PubChem CID 10487354) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (5S,6S)-1,7-dioxaspiro[5.5]undec-3-en-5-ol.

Molecular Properties

Compound Name(5S,6S)-1,7-dioxaspiro[5.5]undec-3-en-5-ol
PubChem CID10487354
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(5S,6S)-1,7-dioxaspiro[5.5]undec-3-en-5-ol
SMILESO[C@H]1C=CCO[C@@]12CCCCO2
InChIInChI=1S/C9H14O3/c10-8-4-3-7-12-9(8)5-1-2-6-11-9/h3-4,8,10H,1-2,5-7H2/t8-,9-/m0/s1
InChIKeyJZUMMFAUTNJDMI-IUCAKERBSA-N
XLogP0.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5S,6S)-1,7-dioxaspiro[5.5]undec-3-en-5-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-1,7-dioxaspiro[5.5]undec-3-en-5-ol?
The IUPAC name of (5S,6S)-1,7-dioxaspiro[5.5]undec-3-en-5-ol (CID 10487354) is (5S,6S)-1,7-dioxaspiro[5.5]undec-3-en-5-ol.
What is the SMILES notation for (5S,6S)-1,7-dioxaspiro[5.5]undec-3-en-5-ol?
The canonical SMILES for (5S,6S)-1,7-dioxaspiro[5.5]undec-3-en-5-ol is O[C@H]1C=CCO[C@@]12CCCCO2.
What is the InChIKey of (5S,6S)-1,7-dioxaspiro[5.5]undec-3-en-5-ol?
The InChIKey is JZUMMFAUTNJDMI-IUCAKERBSA-N. The full InChI is InChI=1S/C9H14O3/c10-8-4-3-7-12-9(8)5-1-2-6-11-9/h3-4,8,10H,1-2,5-7H2/t8-,9-/m0/s1.
What are the key properties of (5S,6S)-1,7-dioxaspiro[5.5]undec-3-en-5-ol?
(5S,6S)-1,7-dioxaspiro[5.5]undec-3-en-5-ol has a molecular weight of 170.21 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-1,7-dioxaspiro[5.5]undec-3-en-5-ol is sourced from PubChem (CID 10487354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).