2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol

C10H18O — CID 22833381

IUPAC2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol
SMILESCC1CCC2CC1(O)C2(C)C
InChIInChI=1S/C10H18O/c1-7-4-5-8-6-10(7,11)9(8,2)3/h7-8,11H,4-6H2,1-3H3
InChIKeyQZYZKSBMQLXBGS-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.19
Rot. Bonds

About 2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol

2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol (PubChem CID 22833381) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol.

Molecular Properties

Compound Name2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol
PubChem CID22833381
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol
SMILESCC1CCC2CC1(O)C2(C)C
InChIInChI=1S/C10H18O/c1-7-4-5-8-6-10(7,11)9(8,2)3/h7-8,11H,4-6H2,1-3H3
InChIKeyQZYZKSBMQLXBGS-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol?
The IUPAC name of 2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol (CID 22833381) is 2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol.
What is the SMILES notation for 2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol?
The canonical SMILES for 2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol is CC1CCC2CC1(O)C2(C)C.
What is the InChIKey of 2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol?
The InChIKey is QZYZKSBMQLXBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7-4-5-8-6-10(7,11)9(8,2)3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol?
2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol is sourced from PubChem (CID 22833381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).