(1R,5S)-bicyclo[3.2.0]heptane-6,7-diol

C7H12O2 — CID 22814734

IUPAC(1R,5S)-bicyclo[3.2.0]heptane-6,7-diol
SMILESOC1C(O)[C@@H]2CCC[C@H]12
InChIInChI=1S/C7H12O2/c8-6-4-2-1-3-5(4)7(6)9/h4-9H,1-3H2/t4-,5+,6?,7?
InChIKeyULIXDJDHERXNPA-DPTVFECHSA-N
MW128.17 g/mol
LogP0.14
Rot. Bonds

About (1R,5S)-bicyclo[3.2.0]heptane-6,7-diol

(1R,5S)-bicyclo[3.2.0]heptane-6,7-diol (PubChem CID 22814734) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (1R,5S)-bicyclo[3.2.0]heptane-6,7-diol.

Molecular Properties

Compound Name(1R,5S)-bicyclo[3.2.0]heptane-6,7-diol
PubChem CID22814734
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(1R,5S)-bicyclo[3.2.0]heptane-6,7-diol
SMILESOC1C(O)[C@@H]2CCC[C@H]12
InChIInChI=1S/C7H12O2/c8-6-4-2-1-3-5(4)7(6)9/h4-9H,1-3H2/t4-,5+,6?,7?
InChIKeyULIXDJDHERXNPA-DPTVFECHSA-N
XLogP0.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-bicyclo[3.2.0]heptane-6,7-diol?
The IUPAC name of (1R,5S)-bicyclo[3.2.0]heptane-6,7-diol (CID 22814734) is (1R,5S)-bicyclo[3.2.0]heptane-6,7-diol.
What is the SMILES notation for (1R,5S)-bicyclo[3.2.0]heptane-6,7-diol?
The canonical SMILES for (1R,5S)-bicyclo[3.2.0]heptane-6,7-diol is OC1C(O)[C@@H]2CCC[C@H]12.
What is the InChIKey of (1R,5S)-bicyclo[3.2.0]heptane-6,7-diol?
The InChIKey is ULIXDJDHERXNPA-DPTVFECHSA-N. The full InChI is InChI=1S/C7H12O2/c8-6-4-2-1-3-5(4)7(6)9/h4-9H,1-3H2/t4-,5+,6?,7?.
What are the key properties of (1R,5S)-bicyclo[3.2.0]heptane-6,7-diol?
(1R,5S)-bicyclo[3.2.0]heptane-6,7-diol has a molecular weight of 128.17 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-bicyclo[3.2.0]heptane-6,7-diol is sourced from PubChem (CID 22814734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).