(2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol

C7H10O2 — CID 124541002

IUPAC(2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol
SMILESO[C@H]1C2CC3[C@H]1[C@H]3[C@H]2O
InChIInChI=1S/C7H10O2/c8-6-3-1-2-4(6)5(2)7(3)9/h2-9H,1H2/t2?,3?,4-,5-,6-,7-/m0/s1
InChIKeyQQLNWTFCRIBMEY-IBJPLQHBSA-N
MW126.15 g/mol
LogP-0.40
Rot. Bonds

About (2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol

(2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol (PubChem CID 124541002) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol.

Molecular Properties

Compound Name(2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol
PubChem CID124541002
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol
SMILESO[C@H]1C2CC3[C@H]1[C@H]3[C@H]2O
InChIInChI=1S/C7H10O2/c8-6-3-1-2-4(6)5(2)7(3)9/h2-9H,1H2/t2?,3?,4-,5-,6-,7-/m0/s1
InChIKeyQQLNWTFCRIBMEY-IBJPLQHBSA-N
XLogP-0.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol
CID 6542091
(1S,2R,3R,4R,5S,7R,8R,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-ol
CID 124785036
(1S,2R,3S,4R,5S,7S,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-ol
CID 98556929
(1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol
CID 6565918
pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol
CID 13108252
(1S,4R)-bicyclo[2.1.0]pentane-2,3-diol
CID 101126936
(1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-ol
CID 131037378
(1R,2R,3S,4R,5R,6R,7S,8S,9S,10R)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol
CID 2304080
(1R,2R,3S,4R,5R,6R,7S,8R,9R,10S)-7-iodopentacyclo[6.3.0.02,6.03,10.05,9]undecan-4-ol
CID 129421495
(5-hydroxy-3-tricyclo[2.2.1.02,6]heptanyl) acetate
CID 14344395
(1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol
CID 98503863
(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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol?
The IUPAC name of (2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol (CID 124541002) is (2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol.
What is the SMILES notation for (2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol?
The canonical SMILES for (2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol is O[C@H]1C2CC3[C@H]1[C@H]3[C@H]2O.
What is the InChIKey of (2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol?
The InChIKey is QQLNWTFCRIBMEY-IBJPLQHBSA-N. The full InChI is InChI=1S/C7H10O2/c8-6-3-1-2-4(6)5(2)7(3)9/h2-9H,1H2/t2?,3?,4-,5-,6-,7-/m0/s1.
What are the key properties of (2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol?
(2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol has a molecular weight of 126.15 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol is sourced from PubChem (CID 124541002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).