bicyclo[2.2.1]heptane-2,5,7-triol

C7H12O3 — CID 22290058

IUPACbicyclo[2.2.1]heptane-2,5,7-triol
SMILESOC1CC2C(O)CC1C2O
InChIInChI=1S/C7H12O3/c8-5-1-3-6(9)2-4(5)7(3)10/h3-10H,1-2H2
InChIKeyYMASSALSDPNFHP-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.89
Rot. Bonds

About bicyclo[2.2.1]heptane-2,5,7-triol

bicyclo[2.2.1]heptane-2,5,7-triol (PubChem CID 22290058) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane-2,5,7-triol.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane-2,5,7-triol
PubChem CID22290058
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namebicyclo[2.2.1]heptane-2,5,7-triol
SMILESOC1CC2C(O)CC1C2O
InChIInChI=1S/C7H12O3/c8-5-1-3-6(9)2-4(5)7(3)10/h3-10H,1-2H2
InChIKeyYMASSALSDPNFHP-UHFFFAOYSA-N
XLogP-0.89
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol
CID 13108252
trans-(1R,2R)-cyclopropane-1,2-diol
CID 59075452
(1S,4R)-bicyclo[2.1.0]pentane-2,3-diol
CID 101126936
(1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol
CID 10855621
(1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol
CID 10964847
(1S,3R)-bicyclo[2.2.1]heptane-2,3,7-triol
CID 169042075
tricyclo[5.2.1.02,6]decane-3,4,9-triol
CID 13191206
(1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol
CID 124792530
trans-(1R,3R)-cyclohexane-1,2,3,5-tetrol
CID 45102944
(2R)-6-tert-butylbicyclo[2.2.1]heptan-2-ol
CID 2825181
2-phosphatricyclo[3.3.1.13,7]decane-4,6,8-triol
CID 91214490
(1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol
CID 124536655

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane-2,5,7-triol?
The IUPAC name of bicyclo[2.2.1]heptane-2,5,7-triol (CID 22290058) is bicyclo[2.2.1]heptane-2,5,7-triol.
What is the SMILES notation for bicyclo[2.2.1]heptane-2,5,7-triol?
The canonical SMILES for bicyclo[2.2.1]heptane-2,5,7-triol is OC1CC2C(O)CC1C2O.
What is the InChIKey of bicyclo[2.2.1]heptane-2,5,7-triol?
The InChIKey is YMASSALSDPNFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c8-5-1-3-6(9)2-4(5)7(3)10/h3-10H,1-2H2.
What are the key properties of bicyclo[2.2.1]heptane-2,5,7-triol?
bicyclo[2.2.1]heptane-2,5,7-triol has a molecular weight of 144.17 g/mol, XLogP of -0.89, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane-2,5,7-triol is sourced from PubChem (CID 22290058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).