(1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol

C15H26O3 — CID 98050236

IUPAC(1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol
SMILESC[C@]1(CO)CCC[C@]2(C)[C@@H]3[C@@H]1[C@@H](O)[C@]2(C)C[C@H]3O
InChIInChI=1S/C15H26O3/c1-13(8-16)5-4-6-14(2)10-9(17)7-15(14,3)12(18)11(10)13/h9-12,16-18H,4-8H2,1-3H3/t9-,10+,11-,12-,13-,14-,15+/m1/s1
InChIKeyOLWYTMKUCGVHCZ-CCCRVJQASA-N
MW254.37 g/mol
LogP1.55
Rot. Bonds1

About (1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol

(1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol (PubChem CID 98050236) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol.

Molecular Properties

Compound Name(1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol
PubChem CID98050236
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol
SMILESC[C@]1(CO)CCC[C@]2(C)[C@@H]3[C@@H]1[C@@H](O)[C@]2(C)C[C@H]3O
InChIInChI=1S/C15H26O3/c1-13(8-16)5-4-6-14(2)10-9(17)7-15(14,3)12(18)11(10)13/h9-12,16-18H,4-8H2,1-3H3/t9-,10+,11-,12-,13-,14-,15+/m1/s1
InChIKeyOLWYTMKUCGVHCZ-CCCRVJQASA-N
XLogP1.55
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol?
The IUPAC name of (1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol (CID 98050236) is (1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol.
What is the SMILES notation for (1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol?
The canonical SMILES for (1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol is C[C@]1(CO)CCC[C@]2(C)[C@@H]3[C@@H]1[C@@H](O)[C@]2(C)C[C@H]3O.
What is the InChIKey of (1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol?
The InChIKey is OLWYTMKUCGVHCZ-CCCRVJQASA-N. The full InChI is InChI=1S/C15H26O3/c1-13(8-16)5-4-6-14(2)10-9(17)7-15(14,3)12(18)11(10)13/h9-12,16-18H,4-8H2,1-3H3/t9-,10+,11-,12-,13-,14-,15+/m1/s1.
What are the key properties of (1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol?
(1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol has a molecular weight of 254.37 g/mol, XLogP of 1.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S,7S,8R,9R,11R)-6-(hydroxymethyl)-2,6,9-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol is sourced from PubChem (CID 98050236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).