2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol

C9H14O — CID 57351268

IUPAC2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol
SMILESCC1(O)C2CC3C(C2)C31C
InChIInChI=1S/C9H14O/c1-8-6-3-5(4-7(6)8)9(8,2)10/h5-7,10H,3-4H2,1-2H3
InChIKeyUBKHGJMYFULZLF-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.41
Rot. Bonds

About 2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol

2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol (PubChem CID 57351268) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol.

Molecular Properties

Compound Name2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol
PubChem CID57351268
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol
SMILESCC1(O)C2CC3C(C2)C31C
InChIInChI=1S/C9H14O/c1-8-6-3-5(4-7(6)8)9(8,2)10/h5-7,10H,3-4H2,1-2H3
InChIKeyUBKHGJMYFULZLF-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol?
The IUPAC name of 2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol (CID 57351268) is 2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol.
What is the SMILES notation for 2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol?
The canonical SMILES for 2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol is CC1(O)C2CC3C(C2)C31C.
What is the InChIKey of 2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol?
The InChIKey is UBKHGJMYFULZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-8-6-3-5(4-7(6)8)9(8,2)10/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol?
2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol has a molecular weight of 138.21 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol is sourced from PubChem (CID 57351268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).