[(1S,2R,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methanol

C11H20O — CID 58892133

IUPAC[(1S,2R,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methanol
SMILESC[C@@H]1C[C@H]2C[C@@H]([C@@H]1CO)C2(C)C
InChIInChI=1S/C11H20O/c1-7-4-8-5-10(9(7)6-12)11(8,2)3/h7-10,12H,4-6H2,1-3H3/t7-,8+,9-,10+/m1/s1
InChIKeyKUCHRVAPHCAVCI-RGOKHQFPSA-N
MW168.28 g/mol
LogP2.30
Rot. Bonds1

About [(1S,2R,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methanol

[(1S,2R,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methanol (PubChem CID 58892133) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is [(1S,2R,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methanol.

Molecular Properties

Compound Name[(1S,2R,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methanol
PubChem CID58892133
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name[(1S,2R,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methanol
SMILESC[C@@H]1C[C@H]2C[C@@H]([C@@H]1CO)C2(C)C
InChIInChI=1S/C11H20O/c1-7-4-8-5-10(9(7)6-12)11(8,2)3/h7-10,12H,4-6H2,1-3H3/t7-,8+,9-,10+/m1/s1
InChIKeyKUCHRVAPHCAVCI-RGOKHQFPSA-N
XLogP2.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(1S,2R,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methanol with MolForge

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Related Compounds

(1S,2R,3R,5S)-2,3,6,6-tetramethylbicyclo[3.1.1]heptane
CID 54037788
[(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 140535687
[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 59952674
2-[(1R,2S,3R,5S)-3-hydroxy-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetaldehyde
CID 89350582
2-[(1R,5S)-3-hydroxy-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetaldehyde
CID 89350580
ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium
CID 157116099
[(1R,2R,3R,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride
CID 67232742
[(1R,2S,3S,5S)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol
CID 68527765
ethane;3,6,6-trimethyl-2-propan-2-ylbicyclo[3.1.1]heptane
CID 163598600
azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143055597
(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 6429433
[(1R,2R,3S,5R)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride
CID 67232704

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methanol?
The IUPAC name of [(1S,2R,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methanol (CID 58892133) is [(1S,2R,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methanol.
What is the SMILES notation for [(1S,2R,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methanol?
The canonical SMILES for [(1S,2R,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methanol is C[C@@H]1C[C@H]2C[C@@H]([C@@H]1CO)C2(C)C.
What is the InChIKey of [(1S,2R,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methanol?
The InChIKey is KUCHRVAPHCAVCI-RGOKHQFPSA-N. The full InChI is InChI=1S/C11H20O/c1-7-4-8-5-10(9(7)6-12)11(8,2)3/h7-10,12H,4-6H2,1-3H3/t7-,8+,9-,10+/m1/s1.
What are the key properties of [(1S,2R,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methanol?
[(1S,2R,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methanol has a molecular weight of 168.28 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methanol is sourced from PubChem (CID 58892133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).