3,7-dioxatricyclo[4.3.0.02,4]nonan-8-ol

C7H10O3 — CID 14376516

IUPAC3,7-dioxatricyclo[4.3.0.02,4]nonan-8-ol
SMILESOC1CC2C(CC3OC32)O1
InChIInChI=1S/C7H10O3/c8-6-1-3-4(9-6)2-5-7(3)10-5/h3-8H,1-2H2
InChIKeyALUYAJROXRIZBC-UHFFFAOYSA-N
MW142.15 g/mol
LogP-0.12
Rot. Bonds

About 3,7-dioxatricyclo[4.3.0.02,4]nonan-8-ol

3,7-dioxatricyclo[4.3.0.02,4]nonan-8-ol (PubChem CID 14376516) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3,7-dioxatricyclo[4.3.0.02,4]nonan-8-ol.

Molecular Properties

Compound Name3,7-dioxatricyclo[4.3.0.02,4]nonan-8-ol
PubChem CID14376516
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3,7-dioxatricyclo[4.3.0.02,4]nonan-8-ol
SMILESOC1CC2C(CC3OC32)O1
InChIInChI=1S/C7H10O3/c8-6-1-3-4(9-6)2-5-7(3)10-5/h3-8H,1-2H2
InChIKeyALUYAJROXRIZBC-UHFFFAOYSA-N
XLogP-0.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-dioxatricyclo[4.3.0.02,4]nonan-8-ol?
The IUPAC name of 3,7-dioxatricyclo[4.3.0.02,4]nonan-8-ol (CID 14376516) is 3,7-dioxatricyclo[4.3.0.02,4]nonan-8-ol.
What is the SMILES notation for 3,7-dioxatricyclo[4.3.0.02,4]nonan-8-ol?
The canonical SMILES for 3,7-dioxatricyclo[4.3.0.02,4]nonan-8-ol is OC1CC2C(CC3OC32)O1.
What is the InChIKey of 3,7-dioxatricyclo[4.3.0.02,4]nonan-8-ol?
The InChIKey is ALUYAJROXRIZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-6-1-3-4(9-6)2-5-7(3)10-5/h3-8H,1-2H2.
What are the key properties of 3,7-dioxatricyclo[4.3.0.02,4]nonan-8-ol?
3,7-dioxatricyclo[4.3.0.02,4]nonan-8-ol has a molecular weight of 142.15 g/mol, XLogP of -0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dioxatricyclo[4.3.0.02,4]nonan-8-ol is sourced from PubChem (CID 14376516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).