(2S,5S,7R)-adamantane-1,2-diol

C10H16O2 — CID 139069186

IUPAC(2S,5S,7R)-adamantane-1,2-diol
SMILESO[C@H]1C2C[C@@H]3C[C@H](C2)CC1(O)C3
InChIInChI=1S/C10H16O2/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9,11-12H,1-5H2/t6-,7+,8?,9-,10?/m0/s1
InChIKeyRVIZJROSQMQZCG-ZYXJHOAFSA-N
MW168.24 g/mol
LogP0.92
Rot. Bonds

About (2S,5S,7R)-adamantane-1,2-diol

(2S,5S,7R)-adamantane-1,2-diol (PubChem CID 139069186) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2S,5S,7R)-adamantane-1,2-diol.

Molecular Properties

Compound Name(2S,5S,7R)-adamantane-1,2-diol
PubChem CID139069186
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2S,5S,7R)-adamantane-1,2-diol
SMILESO[C@H]1C2C[C@@H]3C[C@H](C2)CC1(O)C3
InChIInChI=1S/C10H16O2/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9,11-12H,1-5H2/t6-,7+,8?,9-,10?/m0/s1
InChIKeyRVIZJROSQMQZCG-ZYXJHOAFSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5S,7R)-adamantane-1,2-diol?
The IUPAC name of (2S,5S,7R)-adamantane-1,2-diol (CID 139069186) is (2S,5S,7R)-adamantane-1,2-diol.
What is the SMILES notation for (2S,5S,7R)-adamantane-1,2-diol?
The canonical SMILES for (2S,5S,7R)-adamantane-1,2-diol is O[C@H]1C2C[C@@H]3C[C@H](C2)CC1(O)C3.
What is the InChIKey of (2S,5S,7R)-adamantane-1,2-diol?
The InChIKey is RVIZJROSQMQZCG-ZYXJHOAFSA-N. The full InChI is InChI=1S/C10H16O2/c11-9-8-2-6-1-7(3-8)5-10(9,12)4-6/h6-9,11-12H,1-5H2/t6-,7+,8?,9-,10?/m0/s1.
What are the key properties of (2S,5S,7R)-adamantane-1,2-diol?
(2S,5S,7R)-adamantane-1,2-diol has a molecular weight of 168.24 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S,7R)-adamantane-1,2-diol is sourced from PubChem (CID 139069186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).