(1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol

C14H24O2 — CID 102586581

IUPAC(1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol
SMILESCC1(O)[C@@H]2CCC[C@@H]3C[C@@H]1C[C@H](C2)[C@]3(C)O
InChIInChI=1S/C14H24O2/c1-13(15)9-4-3-5-10-7-11(13)8-12(6-9)14(10,2)16/h9-12,15-16H,3-8H2,1-2H3/t9-,10-,11-,12+,13?,14-/m1/s1
InChIKeyLDQQRAAOYUDLND-QFIBJEGBSA-N
MW224.34 g/mol
LogP2.33
Rot. Bonds

About (1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol

(1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol (PubChem CID 102586581) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol.

Molecular Properties

Compound Name(1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol
PubChem CID102586581
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol
SMILESCC1(O)[C@@H]2CCC[C@@H]3C[C@@H]1C[C@H](C2)[C@]3(C)O
InChIInChI=1S/C14H24O2/c1-13(15)9-4-3-5-10-7-11(13)8-12(6-9)14(10,2)16/h9-12,15-16H,3-8H2,1-2H3/t9-,10-,11-,12+,13?,14-/m1/s1
InChIKeyLDQQRAAOYUDLND-QFIBJEGBSA-N
XLogP2.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol with MolForge

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Related Compounds

(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane
CID 91146278
11,11-dimethylbicyclo[4.4.1]undecane
CID 71443320
1-cyclobutyl-2,2-dimethylcyclobutan-1-ol
CID 130554912
9-hydroxy-10,10-dimethyl-9-borabicyclo[3.3.2]decane
CID 121221251
7-methylbicyclo[2.2.1]heptane-2,7-diol
CID 130146915
2-methylbicyclo[1.1.0]butan-2-ol
CID 123776938
9,9-dimethyl-3-oxabicyclo[3.3.1]nonane
CID 159685606
(1R,4S)-2-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-ol
CID 164833501
(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 91871275
(1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 126970080
(1R,2R,3S,5R)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 10986679
(1S,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
CID 11875864

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol?
The IUPAC name of (1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol (CID 102586581) is (1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol.
What is the SMILES notation for (1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol?
The canonical SMILES for (1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol is CC1(O)[C@@H]2CCC[C@@H]3C[C@@H]1C[C@H](C2)[C@]3(C)O.
What is the InChIKey of (1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol?
The InChIKey is LDQQRAAOYUDLND-QFIBJEGBSA-N. The full InChI is InChI=1S/C14H24O2/c1-13(15)9-4-3-5-10-7-11(13)8-12(6-9)14(10,2)16/h9-12,15-16H,3-8H2,1-2H3/t9-,10-,11-,12+,13?,14-/m1/s1.
What are the key properties of (1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol?
(1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol has a molecular weight of 224.34 g/mol, XLogP of 2.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,7R,9R)-2,8-dimethyltricyclo[5.3.1.13,9]dodecane-2,8-diol is sourced from PubChem (CID 102586581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).