(1S,6S,7S,9S,10S)-10-(hydroxymethyl)-6-methyltricyclo[5.2.1.01,6]decane-9,10-diol

C12H20O3 — CID 131857218

IUPAC(1S,6S,7S,9S,10S)-10-(hydroxymethyl)-6-methyltricyclo[5.2.1.01,6]decane-9,10-diol
SMILESC[C@@]12CCCC[C@@]13[C@@H](O)C[C@@H]2[C@@]3(O)CO
InChIInChI=1S/C12H20O3/c1-10-4-2-3-5-11(10)9(14)6-8(10)12(11,15)7-13/h8-9,13-15H,2-7H2,1H3/t8-,9-,10-,11+,12-/m0/s1
InChIKeyXXWRVISCVXVXRJ-NGDQXYMTSA-N
MW212.29 g/mol
LogP0.67
Rot. Bonds1

About (1S,6S,7S,9S,10S)-10-(hydroxymethyl)-6-methyltricyclo[5.2.1.01,6]decane-9,10-diol

(1S,6S,7S,9S,10S)-10-(hydroxymethyl)-6-methyltricyclo[5.2.1.01,6]decane-9,10-diol (PubChem CID 131857218) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (1S,6S,7S,9S,10S)-10-(hydroxymethyl)-6-methyltricyclo[5.2.1.01,6]decane-9,10-diol.

Molecular Properties

Compound Name(1S,6S,7S,9S,10S)-10-(hydroxymethyl)-6-methyltricyclo[5.2.1.01,6]decane-9,10-diol
PubChem CID131857218
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(1S,6S,7S,9S,10S)-10-(hydroxymethyl)-6-methyltricyclo[5.2.1.01,6]decane-9,10-diol
SMILESC[C@@]12CCCC[C@@]13[C@@H](O)C[C@@H]2[C@@]3(O)CO
InChIInChI=1S/C12H20O3/c1-10-4-2-3-5-11(10)9(14)6-8(10)12(11,15)7-13/h8-9,13-15H,2-7H2,1H3/t8-,9-,10-,11+,12-/m0/s1
InChIKeyXXWRVISCVXVXRJ-NGDQXYMTSA-N
XLogP0.67
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1S,6S,7S,9S,10S)-10-(hydroxymethyl)-6-methyltricyclo[5.2.1.01,6]decane-9,10-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,6S,7S,9S,10S)-10-(hydroxymethyl)-6-methyltricyclo[5.2.1.01,6]decane-9,10-diol?
The IUPAC name of (1S,6S,7S,9S,10S)-10-(hydroxymethyl)-6-methyltricyclo[5.2.1.01,6]decane-9,10-diol (CID 131857218) is (1S,6S,7S,9S,10S)-10-(hydroxymethyl)-6-methyltricyclo[5.2.1.01,6]decane-9,10-diol.
What is the SMILES notation for (1S,6S,7S,9S,10S)-10-(hydroxymethyl)-6-methyltricyclo[5.2.1.01,6]decane-9,10-diol?
The canonical SMILES for (1S,6S,7S,9S,10S)-10-(hydroxymethyl)-6-methyltricyclo[5.2.1.01,6]decane-9,10-diol is C[C@@]12CCCC[C@@]13[C@@H](O)C[C@@H]2[C@@]3(O)CO.
What is the InChIKey of (1S,6S,7S,9S,10S)-10-(hydroxymethyl)-6-methyltricyclo[5.2.1.01,6]decane-9,10-diol?
The InChIKey is XXWRVISCVXVXRJ-NGDQXYMTSA-N. The full InChI is InChI=1S/C12H20O3/c1-10-4-2-3-5-11(10)9(14)6-8(10)12(11,15)7-13/h8-9,13-15H,2-7H2,1H3/t8-,9-,10-,11+,12-/m0/s1.
What are the key properties of (1S,6S,7S,9S,10S)-10-(hydroxymethyl)-6-methyltricyclo[5.2.1.01,6]decane-9,10-diol?
(1S,6S,7S,9S,10S)-10-(hydroxymethyl)-6-methyltricyclo[5.2.1.01,6]decane-9,10-diol has a molecular weight of 212.29 g/mol, XLogP of 0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,7S,9S,10S)-10-(hydroxymethyl)-6-methyltricyclo[5.2.1.01,6]decane-9,10-diol is sourced from PubChem (CID 131857218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).