(1R,2R,6S)-7,7,8,8-tetramethylbicyclo[4.2.0]octan-2-ol

C12H22O — CID 13486535

IUPAC(1R,2R,6S)-7,7,8,8-tetramethylbicyclo[4.2.0]octan-2-ol
SMILESCC1(C)[C@@H]2[C@H](O)CCC[C@@H]2C1(C)C
InChIInChI=1S/C12H22O/c1-11(2)8-6-5-7-9(13)10(8)12(11,3)4/h8-10,13H,5-7H2,1-4H3/t8-,9+,10-/m0/s1
InChIKeyBONNGAYZAPYFLU-AEJSXWLSSA-N
MW182.31 g/mol
LogP2.83
Rot. Bonds

About (1R,2R,6S)-7,7,8,8-tetramethylbicyclo[4.2.0]octan-2-ol

(1R,2R,6S)-7,7,8,8-tetramethylbicyclo[4.2.0]octan-2-ol (PubChem CID 13486535) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (1R,2R,6S)-7,7,8,8-tetramethylbicyclo[4.2.0]octan-2-ol.

Molecular Properties

Compound Name(1R,2R,6S)-7,7,8,8-tetramethylbicyclo[4.2.0]octan-2-ol
PubChem CID13486535
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(1R,2R,6S)-7,7,8,8-tetramethylbicyclo[4.2.0]octan-2-ol
SMILESCC1(C)[C@@H]2[C@H](O)CCC[C@@H]2C1(C)C
InChIInChI=1S/C12H22O/c1-11(2)8-6-5-7-9(13)10(8)12(11,3)4/h8-10,13H,5-7H2,1-4H3/t8-,9+,10-/m0/s1
InChIKeyBONNGAYZAPYFLU-AEJSXWLSSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S)-7,7,8,8-tetramethylbicyclo[4.2.0]octan-2-ol?
The IUPAC name of (1R,2R,6S)-7,7,8,8-tetramethylbicyclo[4.2.0]octan-2-ol (CID 13486535) is (1R,2R,6S)-7,7,8,8-tetramethylbicyclo[4.2.0]octan-2-ol.
What is the SMILES notation for (1R,2R,6S)-7,7,8,8-tetramethylbicyclo[4.2.0]octan-2-ol?
The canonical SMILES for (1R,2R,6S)-7,7,8,8-tetramethylbicyclo[4.2.0]octan-2-ol is CC1(C)[C@@H]2[C@H](O)CCC[C@@H]2C1(C)C.
What is the InChIKey of (1R,2R,6S)-7,7,8,8-tetramethylbicyclo[4.2.0]octan-2-ol?
The InChIKey is BONNGAYZAPYFLU-AEJSXWLSSA-N. The full InChI is InChI=1S/C12H22O/c1-11(2)8-6-5-7-9(13)10(8)12(11,3)4/h8-10,13H,5-7H2,1-4H3/t8-,9+,10-/m0/s1.
What are the key properties of (1R,2R,6S)-7,7,8,8-tetramethylbicyclo[4.2.0]octan-2-ol?
(1R,2R,6S)-7,7,8,8-tetramethylbicyclo[4.2.0]octan-2-ol has a molecular weight of 182.31 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S)-7,7,8,8-tetramethylbicyclo[4.2.0]octan-2-ol is sourced from PubChem (CID 13486535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).