(1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol

C10H18O — CID 102239210

IUPAC(1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
SMILESC[C@@H]1C[C@H](O)[C@H]2C[C@H]1C2(C)C
InChIInChI=1S/C10H18O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7-,8-,9+/m1/s1
InChIKeyVIGNRSKBPLHDGV-BGZDPUMWSA-N
MW154.25 g/mol
LogP2.05
Rot. Bonds

About (1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol

(1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol (PubChem CID 102239210) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
PubChem CID102239210
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
SMILESC[C@@H]1C[C@H](O)[C@H]2C[C@H]1C2(C)C
InChIInChI=1S/C10H18O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7-,8-,9+/m1/s1
InChIKeyVIGNRSKBPLHDGV-BGZDPUMWSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,4R,5S)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 131134241
(1S,4R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 175710534
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
4,7,7-trimethylbicyclo[4.1.1]octan-3-ol
CID 90911661
2-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]piperidin-3-ol
CID 143055461
[(1R,2R,4S,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl] acetate
CID 91752707
4,5-dimethylcyclohexane-1,2-diol
CID 13429582
(1S,2R,4R,5S)-N-ethyl-4,6,6-trimethylbicyclo[3.1.1]heptan-2-amine
CID 130848992
(1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol
CID 131177200
(1R,2S,4S)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 124541868
(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
CID 11263535
4,6-dimethylbicyclo[4.1.0]heptan-2-ol
CID 130126006

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol?
The IUPAC name of (1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol (CID 102239210) is (1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol.
What is the SMILES notation for (1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol?
The canonical SMILES for (1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol is C[C@@H]1C[C@H](O)[C@H]2C[C@H]1C2(C)C.
What is the InChIKey of (1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol?
The InChIKey is VIGNRSKBPLHDGV-BGZDPUMWSA-N. The full InChI is InChI=1S/C10H18O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7-,8-,9+/m1/s1.
What are the key properties of (1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol?
(1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol has a molecular weight of 154.25 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol is sourced from PubChem (CID 102239210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).