(2S)-5,6,7,8-tetramethylidenebicyclo[2.2.2]octan-2-ol

C12H14O — CID 13099278

IUPAC(2S)-5,6,7,8-tetramethylidenebicyclo[2.2.2]octan-2-ol
SMILESC=C1C(=C)C2C(=C)C(=C)C1C[C@@H]2O
InChIInChI=1S/C12H14O/c1-6-8(3)12-9(4)7(2)10(6)5-11(12)13/h10-13H,1-5H2/t10?,11-,12?/m0/s1
InChIKeyQNWNDLVYGYQWIG-CXQJBGSLSA-N
MW174.24 g/mol
LogP2.22
Rot. Bonds

About (2S)-5,6,7,8-tetramethylidenebicyclo[2.2.2]octan-2-ol

(2S)-5,6,7,8-tetramethylidenebicyclo[2.2.2]octan-2-ol (PubChem CID 13099278) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (2S)-5,6,7,8-tetramethylidenebicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name(2S)-5,6,7,8-tetramethylidenebicyclo[2.2.2]octan-2-ol
PubChem CID13099278
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(2S)-5,6,7,8-tetramethylidenebicyclo[2.2.2]octan-2-ol
SMILESC=C1C(=C)C2C(=C)C(=C)C1C[C@@H]2O
InChIInChI=1S/C12H14O/c1-6-8(3)12-9(4)7(2)10(6)5-11(12)13/h10-13H,1-5H2/t10?,11-,12?/m0/s1
InChIKeyQNWNDLVYGYQWIG-CXQJBGSLSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-5,6,7,8-tetramethylidenebicyclo[2.2.2]octan-2-ol?
The IUPAC name of (2S)-5,6,7,8-tetramethylidenebicyclo[2.2.2]octan-2-ol (CID 13099278) is (2S)-5,6,7,8-tetramethylidenebicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for (2S)-5,6,7,8-tetramethylidenebicyclo[2.2.2]octan-2-ol?
The canonical SMILES for (2S)-5,6,7,8-tetramethylidenebicyclo[2.2.2]octan-2-ol is C=C1C(=C)C2C(=C)C(=C)C1C[C@@H]2O.
What is the InChIKey of (2S)-5,6,7,8-tetramethylidenebicyclo[2.2.2]octan-2-ol?
The InChIKey is QNWNDLVYGYQWIG-CXQJBGSLSA-N. The full InChI is InChI=1S/C12H14O/c1-6-8(3)12-9(4)7(2)10(6)5-11(12)13/h10-13H,1-5H2/t10?,11-,12?/m0/s1.
What are the key properties of (2S)-5,6,7,8-tetramethylidenebicyclo[2.2.2]octan-2-ol?
(2S)-5,6,7,8-tetramethylidenebicyclo[2.2.2]octan-2-ol has a molecular weight of 174.24 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,6,7,8-tetramethylidenebicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 13099278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).