2-hydroxyethyl 2-(1-tricyclo[3.3.1.03,7]nonanyl)acetate

C13H20O3 — CID 118049180

IUPAC2-hydroxyethyl 2-(1-tricyclo[3.3.1.03,7]nonanyl)acetate
SMILESO=C(CC12CC3CC(C1)C(C3)C2)OCCO
InChIInChI=1S/C13H20O3/c14-1-2-16-12(15)8-13-5-9-3-10(6-13)11(4-9)7-13/h9-11,14H,1-8H2
InChIKeyPLEHQMIHCHNIJN-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.74
Rot. Bonds4

About 2-hydroxyethyl 2-(1-tricyclo[3.3.1.03,7]nonanyl)acetate

2-hydroxyethyl 2-(1-tricyclo[3.3.1.03,7]nonanyl)acetate (PubChem CID 118049180) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-hydroxyethyl 2-(1-tricyclo[3.3.1.03,7]nonanyl)acetate.

Molecular Properties

Compound Name2-hydroxyethyl 2-(1-tricyclo[3.3.1.03,7]nonanyl)acetate
PubChem CID118049180
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-hydroxyethyl 2-(1-tricyclo[3.3.1.03,7]nonanyl)acetate
SMILESO=C(CC12CC3CC(C1)C(C3)C2)OCCO
InChIInChI=1S/C13H20O3/c14-1-2-16-12(15)8-13-5-9-3-10(6-13)11(4-9)7-13/h9-11,14H,1-8H2
InChIKeyPLEHQMIHCHNIJN-UHFFFAOYSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-(1-tricyclo[3.3.1.03,7]nonanyl)acetate?
The IUPAC name of 2-hydroxyethyl 2-(1-tricyclo[3.3.1.03,7]nonanyl)acetate (CID 118049180) is 2-hydroxyethyl 2-(1-tricyclo[3.3.1.03,7]nonanyl)acetate.
What is the SMILES notation for 2-hydroxyethyl 2-(1-tricyclo[3.3.1.03,7]nonanyl)acetate?
The canonical SMILES for 2-hydroxyethyl 2-(1-tricyclo[3.3.1.03,7]nonanyl)acetate is O=C(CC12CC3CC(C1)C(C3)C2)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-(1-tricyclo[3.3.1.03,7]nonanyl)acetate?
The InChIKey is PLEHQMIHCHNIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c14-1-2-16-12(15)8-13-5-9-3-10(6-13)11(4-9)7-13/h9-11,14H,1-8H2.
What are the key properties of 2-hydroxyethyl 2-(1-tricyclo[3.3.1.03,7]nonanyl)acetate?
2-hydroxyethyl 2-(1-tricyclo[3.3.1.03,7]nonanyl)acetate has a molecular weight of 224.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-(1-tricyclo[3.3.1.03,7]nonanyl)acetate is sourced from PubChem (CID 118049180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).