3-ethyl-3-methylbicyclo[2.2.1]heptan-1-ol

C10H18O — CID 89090393

IUPAC3-ethyl-3-methylbicyclo[2.2.1]heptan-1-ol
SMILESCCC1(C)CC2(O)CCC1C2
InChIInChI=1S/C10H18O/c1-3-9(2)7-10(11)5-4-8(9)6-10/h8,11H,3-7H2,1-2H3
InChIKeyUKYMSWBTVZTBDD-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.34
Rot. Bonds1

About 3-ethyl-3-methylbicyclo[2.2.1]heptan-1-ol

3-ethyl-3-methylbicyclo[2.2.1]heptan-1-ol (PubChem CID 89090393) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-ethyl-3-methylbicyclo[2.2.1]heptan-1-ol.

Molecular Properties

Compound Name3-ethyl-3-methylbicyclo[2.2.1]heptan-1-ol
PubChem CID89090393
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-ethyl-3-methylbicyclo[2.2.1]heptan-1-ol
SMILESCCC1(C)CC2(O)CCC1C2
InChIInChI=1S/C10H18O/c1-3-9(2)7-10(11)5-4-8(9)6-10/h8,11H,3-7H2,1-2H3
InChIKeyUKYMSWBTVZTBDD-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methylbicyclo[2.2.1]heptan-1-ol?
The IUPAC name of 3-ethyl-3-methylbicyclo[2.2.1]heptan-1-ol (CID 89090393) is 3-ethyl-3-methylbicyclo[2.2.1]heptan-1-ol.
What is the SMILES notation for 3-ethyl-3-methylbicyclo[2.2.1]heptan-1-ol?
The canonical SMILES for 3-ethyl-3-methylbicyclo[2.2.1]heptan-1-ol is CCC1(C)CC2(O)CCC1C2.
What is the InChIKey of 3-ethyl-3-methylbicyclo[2.2.1]heptan-1-ol?
The InChIKey is UKYMSWBTVZTBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-9(2)7-10(11)5-4-8(9)6-10/h8,11H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-3-methylbicyclo[2.2.1]heptan-1-ol?
3-ethyl-3-methylbicyclo[2.2.1]heptan-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methylbicyclo[2.2.1]heptan-1-ol is sourced from PubChem (CID 89090393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).