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

C9H14O3 — CID 134840493

IUPAC(5R)-1,7-dioxaspiro[5.5]undec-3-en-5-ol
SMILESO[C@@H]1C=CCOC12CCCCO2
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?/m1/s1
InChIKeyJZUMMFAUTNJDMI-VEDVMXKPSA-N
MW170.21 g/mol
LogP0.83
Rot. Bonds

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

(5R)-1,7-dioxaspiro[5.5]undec-3-en-5-ol (PubChem CID 134840493) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (5R)-1,7-dioxaspiro[5.5]undec-3-en-5-ol.

Molecular Properties

Compound Name(5R)-1,7-dioxaspiro[5.5]undec-3-en-5-ol
PubChem CID134840493
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(5R)-1,7-dioxaspiro[5.5]undec-3-en-5-ol
SMILESO[C@@H]1C=CCOC12CCCCO2
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?/m1/s1
InChIKeyJZUMMFAUTNJDMI-VEDVMXKPSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-1,7-dioxaspiro[5.5]undec-3-en-5-ol?
The IUPAC name of (5R)-1,7-dioxaspiro[5.5]undec-3-en-5-ol (CID 134840493) is (5R)-1,7-dioxaspiro[5.5]undec-3-en-5-ol.
What is the SMILES notation for (5R)-1,7-dioxaspiro[5.5]undec-3-en-5-ol?
The canonical SMILES for (5R)-1,7-dioxaspiro[5.5]undec-3-en-5-ol is O[C@@H]1C=CCOC12CCCCO2.
What is the InChIKey of (5R)-1,7-dioxaspiro[5.5]undec-3-en-5-ol?
The InChIKey is JZUMMFAUTNJDMI-VEDVMXKPSA-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?/m1/s1.
What are the key properties of (5R)-1,7-dioxaspiro[5.5]undec-3-en-5-ol?
(5R)-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 (5R)-1,7-dioxaspiro[5.5]undec-3-en-5-ol is sourced from PubChem (CID 134840493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).