tricyclo[3.3.0.03,7]octane-2,6-diol

C8H12O2 — CID 85287592

IUPACtricyclo[3.3.0.03,7]octane-2,6-diol
SMILESOC1C2CC3C(O)C2CC13
InChIInChI=1S/C8H12O2/c9-7-3-1-4-6(7)2-5(3)8(4)10/h3-10H,1-2H2
InChIKeyDEZZVLQETJEPHD-UHFFFAOYSA-N
MW140.18 g/mol
LogP-0.01
Rot. Bonds

About tricyclo[3.3.0.03,7]octane-2,6-diol

tricyclo[3.3.0.03,7]octane-2,6-diol (PubChem CID 85287592) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is tricyclo[3.3.0.03,7]octane-2,6-diol.

Molecular Properties

Compound Nametricyclo[3.3.0.03,7]octane-2,6-diol
PubChem CID85287592
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Nametricyclo[3.3.0.03,7]octane-2,6-diol
SMILESOC1C2CC3C(O)C2CC13
InChIInChI=1S/C8H12O2/c9-7-3-1-4-6(7)2-5(3)8(4)10/h3-10H,1-2H2
InChIKeyDEZZVLQETJEPHD-UHFFFAOYSA-N
XLogP-0.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tricyclo[3.3.0.03,7]octane-2,6-diol?
The IUPAC name of tricyclo[3.3.0.03,7]octane-2,6-diol (CID 85287592) is tricyclo[3.3.0.03,7]octane-2,6-diol.
What is the SMILES notation for tricyclo[3.3.0.03,7]octane-2,6-diol?
The canonical SMILES for tricyclo[3.3.0.03,7]octane-2,6-diol is OC1C2CC3C(O)C2CC13.
What is the InChIKey of tricyclo[3.3.0.03,7]octane-2,6-diol?
The InChIKey is DEZZVLQETJEPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-7-3-1-4-6(7)2-5(3)8(4)10/h3-10H,1-2H2.
What are the key properties of tricyclo[3.3.0.03,7]octane-2,6-diol?
tricyclo[3.3.0.03,7]octane-2,6-diol has a molecular weight of 140.18 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[3.3.0.03,7]octane-2,6-diol is sourced from PubChem (CID 85287592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).