(1S,3S,5S,7S)-tricyclo[3.3.0.03,7]octane-2,6-diol

C8H12O2 — CID 10844458

IUPAC(1S,3S,5S,7S)-tricyclo[3.3.0.03,7]octane-2,6-diol
SMILESOC1[C@H]2C[C@@H]3C(O)[C@H]2C[C@H]13
InChIInChI=1S/C8H12O2/c9-7-3-1-4-6(7)2-5(3)8(4)10/h3-10H,1-2H2/t3-,4-,5-,6-,7?,8?/m0/s1
InChIKeyDEZZVLQETJEPHD-MRTQZFPLSA-N
MW140.18 g/mol
LogP-0.01
Rot. Bonds

About (1S,3S,5S,7S)-tricyclo[3.3.0.03,7]octane-2,6-diol

(1S,3S,5S,7S)-tricyclo[3.3.0.03,7]octane-2,6-diol (PubChem CID 10844458) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (1S,3S,5S,7S)-tricyclo[3.3.0.03,7]octane-2,6-diol.

Molecular Properties

Compound Name(1S,3S,5S,7S)-tricyclo[3.3.0.03,7]octane-2,6-diol
PubChem CID10844458
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(1S,3S,5S,7S)-tricyclo[3.3.0.03,7]octane-2,6-diol
SMILESOC1[C@H]2C[C@@H]3C(O)[C@H]2C[C@H]13
InChIInChI=1S/C8H12O2/c9-7-3-1-4-6(7)2-5(3)8(4)10/h3-10H,1-2H2/t3-,4-,5-,6-,7?,8?/m0/s1
InChIKeyDEZZVLQETJEPHD-MRTQZFPLSA-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

Analyze (1S,3S,5S,7S)-tricyclo[3.3.0.03,7]octane-2,6-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,3S,5S,7S)-tricyclo[3.3.0.03,7]octane-2,6-diol?
The IUPAC name of (1S,3S,5S,7S)-tricyclo[3.3.0.03,7]octane-2,6-diol (CID 10844458) is (1S,3S,5S,7S)-tricyclo[3.3.0.03,7]octane-2,6-diol.
What is the SMILES notation for (1S,3S,5S,7S)-tricyclo[3.3.0.03,7]octane-2,6-diol?
The canonical SMILES for (1S,3S,5S,7S)-tricyclo[3.3.0.03,7]octane-2,6-diol is OC1[C@H]2C[C@@H]3C(O)[C@H]2C[C@H]13.
What is the InChIKey of (1S,3S,5S,7S)-tricyclo[3.3.0.03,7]octane-2,6-diol?
The InChIKey is DEZZVLQETJEPHD-MRTQZFPLSA-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/t3-,4-,5-,6-,7?,8?/m0/s1.
What are the key properties of (1S,3S,5S,7S)-tricyclo[3.3.0.03,7]octane-2,6-diol?
(1S,3S,5S,7S)-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 (1S,3S,5S,7S)-tricyclo[3.3.0.03,7]octane-2,6-diol is sourced from PubChem (CID 10844458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).