2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol

C8H12O3 — CID 130124205

IUPAC2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol
SMILESOC1CC2OC3CCC2OC13
InChIInChI=1S/C8H12O3/c9-4-3-7-5-1-2-6(10-7)8(4)11-5/h4-9H,1-3H2
InChIKeyCMBAYGJLKPFHNC-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.07
Rot. Bonds

About 2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol

2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol (PubChem CID 130124205) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol.

Molecular Properties

Compound Name2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol
PubChem CID130124205
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol
SMILESOC1CC2OC3CCC2OC13
InChIInChI=1S/C8H12O3/c9-4-3-7-5-1-2-6(10-7)8(4)11-5/h4-9H,1-3H2
InChIKeyCMBAYGJLKPFHNC-UHFFFAOYSA-N
XLogP0.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol?
The IUPAC name of 2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol (CID 130124205) is 2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol.
What is the SMILES notation for 2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol?
The canonical SMILES for 2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol is OC1CC2OC3CCC2OC13.
What is the InChIKey of 2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol?
The InChIKey is CMBAYGJLKPFHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c9-4-3-7-5-1-2-6(10-7)8(4)11-5/h4-9H,1-3H2.
What are the key properties of 2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol?
2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol has a molecular weight of 156.18 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol is sourced from PubChem (CID 130124205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).