(1S,2S,5R,8R,9R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodecane-8,9-diol

C15H26O2 — CID 10799979

IUPAC(1S,2S,5R,8R,9R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodecane-8,9-diol
SMILESCC1(C)C[C@H]2[C@H]1CC[C@@]1(O)C[C@]2(C)CC[C@H]1O
InChIInChI=1S/C15H26O2/c1-13(2)8-11-10(13)4-7-15(17)9-14(11,3)6-5-12(15)16/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,14+,15-/m1/s1
InChIKeyGWCBXQJXFMEEBJ-FMKNKJFCSA-N
MW238.37 g/mol
LogP2.72
Rot. Bonds

About (1S,2S,5R,8R,9R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodecane-8,9-diol

(1S,2S,5R,8R,9R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodecane-8,9-diol (PubChem CID 10799979) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2S,5R,8R,9R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodecane-8,9-diol.

Molecular Properties

Compound Name(1S,2S,5R,8R,9R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodecane-8,9-diol
PubChem CID10799979
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,2S,5R,8R,9R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodecane-8,9-diol
SMILESCC1(C)C[C@H]2[C@H]1CC[C@@]1(O)C[C@]2(C)CC[C@H]1O
InChIInChI=1S/C15H26O2/c1-13(2)8-11-10(13)4-7-15(17)9-14(11,3)6-5-12(15)16/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,14+,15-/m1/s1
InChIKeyGWCBXQJXFMEEBJ-FMKNKJFCSA-N
XLogP2.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S,5R,8R,9R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodecane-8,9-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R,8R,9R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodecane-8,9-diol?
The IUPAC name of (1S,2S,5R,8R,9R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodecane-8,9-diol (CID 10799979) is (1S,2S,5R,8R,9R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodecane-8,9-diol.
What is the SMILES notation for (1S,2S,5R,8R,9R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodecane-8,9-diol?
The canonical SMILES for (1S,2S,5R,8R,9R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodecane-8,9-diol is CC1(C)C[C@H]2[C@H]1CC[C@@]1(O)C[C@]2(C)CC[C@H]1O.
What is the InChIKey of (1S,2S,5R,8R,9R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodecane-8,9-diol?
The InChIKey is GWCBXQJXFMEEBJ-FMKNKJFCSA-N. The full InChI is InChI=1S/C15H26O2/c1-13(2)8-11-10(13)4-7-15(17)9-14(11,3)6-5-12(15)16/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,14+,15-/m1/s1.
What are the key properties of (1S,2S,5R,8R,9R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodecane-8,9-diol?
(1S,2S,5R,8R,9R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodecane-8,9-diol has a molecular weight of 238.37 g/mol, XLogP of 2.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R,8R,9R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodecane-8,9-diol is sourced from PubChem (CID 10799979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).