tricyclo[3.3.0.03,7]octane-1,5-diol

C8H12O2 — CID 11344060

IUPACtricyclo[3.3.0.03,7]octane-1,5-diol
SMILESOC12CC3CC1(O)CC3C2
InChIInChI=1S/C8H12O2/c9-7-1-5-2-8(7,10)4-6(5)3-7/h5-6,9-10H,1-4H2
InChIKeyNAHCSOVKKBBLJX-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.28
Rot. Bonds

About tricyclo[3.3.0.03,7]octane-1,5-diol

tricyclo[3.3.0.03,7]octane-1,5-diol (PubChem CID 11344060) 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-1,5-diol.

Molecular Properties

Compound Nametricyclo[3.3.0.03,7]octane-1,5-diol
PubChem CID11344060
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Nametricyclo[3.3.0.03,7]octane-1,5-diol
SMILESOC12CC3CC1(O)CC3C2
InChIInChI=1S/C8H12O2/c9-7-1-5-2-8(7,10)4-6(5)3-7/h5-6,9-10H,1-4H2
InChIKeyNAHCSOVKKBBLJX-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
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-1,5-diol?
The IUPAC name of tricyclo[3.3.0.03,7]octane-1,5-diol (CID 11344060) is tricyclo[3.3.0.03,7]octane-1,5-diol.
What is the SMILES notation for tricyclo[3.3.0.03,7]octane-1,5-diol?
The canonical SMILES for tricyclo[3.3.0.03,7]octane-1,5-diol is OC12CC3CC1(O)CC3C2.
What is the InChIKey of tricyclo[3.3.0.03,7]octane-1,5-diol?
The InChIKey is NAHCSOVKKBBLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-7-1-5-2-8(7,10)4-6(5)3-7/h5-6,9-10H,1-4H2.
What are the key properties of tricyclo[3.3.0.03,7]octane-1,5-diol?
tricyclo[3.3.0.03,7]octane-1,5-diol has a molecular weight of 140.18 g/mol, XLogP of 0.28, 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-1,5-diol is sourced from PubChem (CID 11344060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).