2-(2-tricyclo[5.2.1.02,6]decanyl)butan-2-ol

C14H24O — CID 18519241

IUPAC2-(2-tricyclo[5.2.1.02,6]decanyl)butan-2-ol
SMILESCCC(C)(O)C12CCCC1C1CCC2C1
InChIInChI=1S/C14H24O/c1-3-13(2,15)14-8-4-5-12(14)10-6-7-11(14)9-10/h10-12,15H,3-9H2,1-2H3
InChIKeyXSHJLRDJWUXLBJ-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.36
Rot. Bonds2

About 2-(2-tricyclo[5.2.1.02,6]decanyl)butan-2-ol

2-(2-tricyclo[5.2.1.02,6]decanyl)butan-2-ol (PubChem CID 18519241) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-(2-tricyclo[5.2.1.02,6]decanyl)butan-2-ol.

Molecular Properties

Compound Name2-(2-tricyclo[5.2.1.02,6]decanyl)butan-2-ol
PubChem CID18519241
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-(2-tricyclo[5.2.1.02,6]decanyl)butan-2-ol
SMILESCCC(C)(O)C12CCCC1C1CCC2C1
InChIInChI=1S/C14H24O/c1-3-13(2,15)14-8-4-5-12(14)10-6-7-11(14)9-10/h10-12,15H,3-9H2,1-2H3
InChIKeyXSHJLRDJWUXLBJ-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tricyclo[5.2.1.02,6]decanyl)butan-2-ol?
The IUPAC name of 2-(2-tricyclo[5.2.1.02,6]decanyl)butan-2-ol (CID 18519241) is 2-(2-tricyclo[5.2.1.02,6]decanyl)butan-2-ol.
What is the SMILES notation for 2-(2-tricyclo[5.2.1.02,6]decanyl)butan-2-ol?
The canonical SMILES for 2-(2-tricyclo[5.2.1.02,6]decanyl)butan-2-ol is CCC(C)(O)C12CCCC1C1CCC2C1.
What is the InChIKey of 2-(2-tricyclo[5.2.1.02,6]decanyl)butan-2-ol?
The InChIKey is XSHJLRDJWUXLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-3-13(2,15)14-8-4-5-12(14)10-6-7-11(14)9-10/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 2-(2-tricyclo[5.2.1.02,6]decanyl)butan-2-ol?
2-(2-tricyclo[5.2.1.02,6]decanyl)butan-2-ol has a molecular weight of 208.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tricyclo[5.2.1.02,6]decanyl)butan-2-ol is sourced from PubChem (CID 18519241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).