(1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol

C10H16O2 — CID 124812816

IUPAC(1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol
SMILESO[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C[C@H]1O
InChIInChI=1S/C10H16O2/c11-8-4-7-5-1-2-6(3-5)9(7)10(8)12/h5-12H,1-4H2/t5-,6-,7+,8+,9-,10-/m0/s1
InChIKeyXZDKBXDSOIMBNM-HMELBQQSSA-N
MW168.24 g/mol
LogP0.77
Rot. Bonds

About (1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol

(1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol (PubChem CID 124812816) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol.

Molecular Properties

Compound Name(1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol
PubChem CID124812816
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol
SMILESO[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C[C@H]1O
InChIInChI=1S/C10H16O2/c11-8-4-7-5-1-2-6(3-5)9(7)10(8)12/h5-12H,1-4H2/t5-,6-,7+,8+,9-,10-/m0/s1
InChIKeyXZDKBXDSOIMBNM-HMELBQQSSA-N
XLogP0.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol?
The IUPAC name of (1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol (CID 124812816) is (1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol.
What is the SMILES notation for (1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol?
The canonical SMILES for (1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol is O[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C[C@H]1O.
What is the InChIKey of (1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol?
The InChIKey is XZDKBXDSOIMBNM-HMELBQQSSA-N. The full InChI is InChI=1S/C10H16O2/c11-8-4-7-5-1-2-6(3-5)9(7)10(8)12/h5-12H,1-4H2/t5-,6-,7+,8+,9-,10-/m0/s1.
What are the key properties of (1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol?
(1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol has a molecular weight of 168.24 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol is sourced from PubChem (CID 124812816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).