(1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol

C11H20O2 — CID 124526848

IUPAC(1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol
SMILESCC1(C)[C@@H]2C[C@H](O)[C@]1(C)[C@@](C)(O)C2
InChIInChI=1S/C11H20O2/c1-9(2)7-5-8(12)11(9,4)10(3,13)6-7/h7-8,12-13H,5-6H2,1-4H3/t7-,8+,10+,11+/m1/s1
InChIKeyAGWPDIJKVDZOLV-IFFSRLJSSA-N
MW184.28 g/mol
LogP1.55
Rot. Bonds

About (1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol

(1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol (PubChem CID 124526848) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol.

Molecular Properties

Compound Name(1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol
PubChem CID124526848
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol
SMILESCC1(C)[C@@H]2C[C@H](O)[C@]1(C)[C@@](C)(O)C2
InChIInChI=1S/C11H20O2/c1-9(2)7-5-8(12)11(9,4)10(3,13)6-7/h7-8,12-13H,5-6H2,1-4H3/t7-,8+,10+,11+/m1/s1
InChIKeyAGWPDIJKVDZOLV-IFFSRLJSSA-N
XLogP1.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol with MolForge

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Related Compounds

1-ethyl-5,5-dimethylbicyclo[2.1.1]hexan-2-ol
CID 163889963
bicyclo[2.1.0]pentane-1,2-diol
CID 66908038
(1S,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
CID 11875864
(2R,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
CID 2724867
(1S,2S,4R,6S)-1,3,3-trimethylbicyclo[2.2.1]heptane-2,6-diol
CID 102249612
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
carbanide;2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol;uranium
CID 149178506
2-amino-6,6-dimethylbicyclo[3.1.1]heptane-2,3-diol
CID 102113359
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
5-(2-hydroxypropan-2-yl)-2-methylcyclohex-3-ene-1,2-diol
CID 130152102
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol?
The IUPAC name of (1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol (CID 124526848) is (1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol.
What is the SMILES notation for (1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol?
The canonical SMILES for (1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol is CC1(C)[C@@H]2C[C@H](O)[C@]1(C)[C@@](C)(O)C2.
What is the InChIKey of (1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol?
The InChIKey is AGWPDIJKVDZOLV-IFFSRLJSSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(2)7-5-8(12)11(9,4)10(3,13)6-7/h7-8,12-13H,5-6H2,1-4H3/t7-,8+,10+,11+/m1/s1.
What are the key properties of (1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol?
(1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol has a molecular weight of 184.28 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol is sourced from PubChem (CID 124526848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).