7,7-diethylbicyclo[3.2.0]heptan-6-ol

C11H20O — CID 81421329

IUPAC7,7-diethylbicyclo[3.2.0]heptan-6-ol
SMILESCCC1(CC)C(O)C2CCCC21
InChIInChI=1S/C11H20O/c1-3-11(4-2)9-7-5-6-8(9)10(11)12/h8-10,12H,3-7H2,1-2H3
InChIKeyHAPGJCOTGDQXNA-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.58
Rot. Bonds2

About 7,7-diethylbicyclo[3.2.0]heptan-6-ol

7,7-diethylbicyclo[3.2.0]heptan-6-ol (PubChem CID 81421329) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 7,7-diethylbicyclo[3.2.0]heptan-6-ol.

Molecular Properties

Compound Name7,7-diethylbicyclo[3.2.0]heptan-6-ol
PubChem CID81421329
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name7,7-diethylbicyclo[3.2.0]heptan-6-ol
SMILESCCC1(CC)C(O)C2CCCC21
InChIInChI=1S/C11H20O/c1-3-11(4-2)9-7-5-6-8(9)10(11)12/h8-10,12H,3-7H2,1-2H3
InChIKeyHAPGJCOTGDQXNA-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7-diethylbicyclo[3.2.0]heptan-6-ol?
The IUPAC name of 7,7-diethylbicyclo[3.2.0]heptan-6-ol (CID 81421329) is 7,7-diethylbicyclo[3.2.0]heptan-6-ol.
What is the SMILES notation for 7,7-diethylbicyclo[3.2.0]heptan-6-ol?
The canonical SMILES for 7,7-diethylbicyclo[3.2.0]heptan-6-ol is CCC1(CC)C(O)C2CCCC21.
What is the InChIKey of 7,7-diethylbicyclo[3.2.0]heptan-6-ol?
The InChIKey is HAPGJCOTGDQXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-11(4-2)9-7-5-6-8(9)10(11)12/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 7,7-diethylbicyclo[3.2.0]heptan-6-ol?
7,7-diethylbicyclo[3.2.0]heptan-6-ol has a molecular weight of 168.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diethylbicyclo[3.2.0]heptan-6-ol is sourced from PubChem (CID 81421329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).