4,7,7-trimethylbicyclo[4.1.1]octan-3-ol

C11H20O — CID 90911661

IUPAC4,7,7-trimethylbicyclo[4.1.1]octan-3-ol
SMILESCC1CC2CC(CC1O)C2(C)C
InChIInChI=1S/C11H20O/c1-7-4-8-5-9(6-10(7)12)11(8,2)3/h7-10,12H,4-6H2,1-3H3
InChIKeyMOMIRUYPWJTERV-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.44
Rot. Bonds

About 4,7,7-trimethylbicyclo[4.1.1]octan-3-ol

4,7,7-trimethylbicyclo[4.1.1]octan-3-ol (PubChem CID 90911661) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4,7,7-trimethylbicyclo[4.1.1]octan-3-ol.

Molecular Properties

Compound Name4,7,7-trimethylbicyclo[4.1.1]octan-3-ol
PubChem CID90911661
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4,7,7-trimethylbicyclo[4.1.1]octan-3-ol
SMILESCC1CC2CC(CC1O)C2(C)C
InChIInChI=1S/C11H20O/c1-7-4-8-5-9(6-10(7)12)11(8,2)3/h7-10,12H,4-6H2,1-3H3
InChIKeyMOMIRUYPWJTERV-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethylbicyclo[4.1.1]octan-3-ol?
The IUPAC name of 4,7,7-trimethylbicyclo[4.1.1]octan-3-ol (CID 90911661) is 4,7,7-trimethylbicyclo[4.1.1]octan-3-ol.
What is the SMILES notation for 4,7,7-trimethylbicyclo[4.1.1]octan-3-ol?
The canonical SMILES for 4,7,7-trimethylbicyclo[4.1.1]octan-3-ol is CC1CC2CC(CC1O)C2(C)C.
What is the InChIKey of 4,7,7-trimethylbicyclo[4.1.1]octan-3-ol?
The InChIKey is MOMIRUYPWJTERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-7-4-8-5-9(6-10(7)12)11(8,2)3/h7-10,12H,4-6H2,1-3H3.
What are the key properties of 4,7,7-trimethylbicyclo[4.1.1]octan-3-ol?
4,7,7-trimethylbicyclo[4.1.1]octan-3-ol has a molecular weight of 168.28 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethylbicyclo[4.1.1]octan-3-ol is sourced from PubChem (CID 90911661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).