(1S,2S,4S,5S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,5-diol

C11H20O2 — CID 131881867

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

About (1S,2S,4S,5S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,5-diol

(1S,2S,4S,5S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,5-diol (PubChem CID 131881867) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1S,2S,4S,5S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,5-diol.

Molecular Properties

Compound Name(1S,2S,4S,5S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,5-diol
PubChem CID131881867
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(1S,2S,4S,5S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,5-diol
SMILESCC1(C)[C@@H]2C[C@](C)(O)[C@@]1(C)C[C@@H]2O
InChIInChI=1S/C11H20O2/c1-9(2)7-5-11(4,13)10(9,3)6-8(7)12/h7-8,12-13H,5-6H2,1-4H3/t7-,8+,10+,11+/m1/s1
InChIKeyYSYFMRPVURSGCW-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 (1S,2S,4S,5S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,5-diol with MolForge

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Related Compounds

(1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol
CID 23268227
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CID 129321785
1,2,2,3-tetramethylcyclobutan-1-ol
CID 175148355
4,7,7-trimethylbicyclo[4.1.0]heptane-2,4-diol
CID 18427141
(1R,2R,6S)-7,7,8,8-tetramethylbicyclo[4.2.0]octan-2-ol
CID 13486535
(1R,2S,4R,6S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,6-diol
CID 124526848
(1S,3S,4S,6R)-4,7,7-tribromo-1,6-dimethylbicyclo[4.1.0]heptan-3-ol
CID 100895585
(1S,2S,5R)-4,4,6,6-tetramethylbicyclo[3.1.1]heptan-2-ol
CID 124705432
(1S,2R,4R,5R)-4,7,7-trimethyl-6-oxabicyclo[3.2.1]octane-2,4-diol
CID 131019227
4,4,7,11-tetramethyltetracyclo[5.5.0.01,11.02,6]dodecan-12-ol
CID 166036441
3,3-dimethylcyclobutane-1,2-diol
CID 12791421
2-methylbicyclo[1.1.0]butan-2-ol
CID 123776938

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S,5S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,5-diol?
The IUPAC name of (1S,2S,4S,5S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,5-diol (CID 131881867) is (1S,2S,4S,5S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,5-diol.
What is the SMILES notation for (1S,2S,4S,5S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,5-diol?
The canonical SMILES for (1S,2S,4S,5S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,5-diol is CC1(C)[C@@H]2C[C@](C)(O)[C@@]1(C)C[C@@H]2O.
What is the InChIKey of (1S,2S,4S,5S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,5-diol?
The InChIKey is YSYFMRPVURSGCW-IFFSRLJSSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(2)7-5-11(4,13)10(9,3)6-8(7)12/h7-8,12-13H,5-6H2,1-4H3/t7-,8+,10+,11+/m1/s1.
What are the key properties of (1S,2S,4S,5S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,5-diol?
(1S,2S,4S,5S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,5-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 (1S,2S,4S,5S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane-2,5-diol is sourced from PubChem (CID 131881867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).