(1S,2R,4S,5S,7S,8R,9R,11R)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undecane-4,5,9-triol

C15H26O3 — CID 10491184

IUPAC(1S,2R,4S,5S,7S,8R,9R,11R)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undecane-4,5,9-triol
SMILESC[C@@H]1C[C@@H](O)[C@@H]2[C@@H]3[C@H]1[C@@]2(C)C[C@H](O)[C@@H](O)C3(C)C
InChIInChI=1S/C15H26O3/c1-7-5-8(16)11-12-10(7)15(11,4)6-9(17)13(18)14(12,2)3/h7-13,16-18H,5-6H2,1-4H3/t7-,8-,9+,10+,11-,12+,13-,15-/m1/s1
InChIKeyWAQKPMHCWWMALU-RVBRGJKHSA-N
MW254.37 g/mol
LogP1.41
Rot. Bonds

About (1S,2R,4S,5S,7S,8R,9R,11R)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undecane-4,5,9-triol

(1S,2R,4S,5S,7S,8R,9R,11R)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undecane-4,5,9-triol (PubChem CID 10491184) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1S,2R,4S,5S,7S,8R,9R,11R)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undecane-4,5,9-triol.

Molecular Properties

Compound Name(1S,2R,4S,5S,7S,8R,9R,11R)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undecane-4,5,9-triol
PubChem CID10491184
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(1S,2R,4S,5S,7S,8R,9R,11R)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undecane-4,5,9-triol
SMILESC[C@@H]1C[C@@H](O)[C@@H]2[C@@H]3[C@H]1[C@@]2(C)C[C@H](O)[C@@H](O)C3(C)C
InChIInChI=1S/C15H26O3/c1-7-5-8(16)11-12-10(7)15(11,4)6-9(17)13(18)14(12,2)3/h7-13,16-18H,5-6H2,1-4H3/t7-,8-,9+,10+,11-,12+,13-,15-/m1/s1
InChIKeyWAQKPMHCWWMALU-RVBRGJKHSA-N
XLogP1.41
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1S,2R,4S,5S,7S,8R,9R,11R)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undecane-4,5,9-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,5S,7S,8R,9R,11R)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undecane-4,5,9-triol?
The IUPAC name of (1S,2R,4S,5S,7S,8R,9R,11R)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undecane-4,5,9-triol (CID 10491184) is (1S,2R,4S,5S,7S,8R,9R,11R)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undecane-4,5,9-triol.
What is the SMILES notation for (1S,2R,4S,5S,7S,8R,9R,11R)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undecane-4,5,9-triol?
The canonical SMILES for (1S,2R,4S,5S,7S,8R,9R,11R)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undecane-4,5,9-triol is C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]3[C@H]1[C@@]2(C)C[C@H](O)[C@@H](O)C3(C)C.
What is the InChIKey of (1S,2R,4S,5S,7S,8R,9R,11R)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undecane-4,5,9-triol?
The InChIKey is WAQKPMHCWWMALU-RVBRGJKHSA-N. The full InChI is InChI=1S/C15H26O3/c1-7-5-8(16)11-12-10(7)15(11,4)6-9(17)13(18)14(12,2)3/h7-13,16-18H,5-6H2,1-4H3/t7-,8-,9+,10+,11-,12+,13-,15-/m1/s1.
What are the key properties of (1S,2R,4S,5S,7S,8R,9R,11R)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undecane-4,5,9-triol?
(1S,2R,4S,5S,7S,8R,9R,11R)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undecane-4,5,9-triol has a molecular weight of 254.37 g/mol, XLogP of 1.41, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,5S,7S,8R,9R,11R)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undecane-4,5,9-triol is sourced from PubChem (CID 10491184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).