3-tricyclo[5.2.1.02,6]decanylmethyl formate

C12H18O2 — CID 3034838

IUPAC3-tricyclo[5.2.1.02,6]decanylmethyl formate
SMILESO=COCC1CCC2C3CCC(C3)C12
InChIInChI=1S/C12H18O2/c13-7-14-6-10-3-4-11-8-1-2-9(5-8)12(10)11/h7-12H,1-6H2
InChIKeyJJOPSNLHZOGEIH-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.23
Rot. Bonds3

About 3-tricyclo[5.2.1.02,6]decanylmethyl formate

3-tricyclo[5.2.1.02,6]decanylmethyl formate (PubChem CID 3034838) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-tricyclo[5.2.1.02,6]decanylmethyl formate.

Molecular Properties

Compound Name3-tricyclo[5.2.1.02,6]decanylmethyl formate
PubChem CID3034838
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-tricyclo[5.2.1.02,6]decanylmethyl formate
SMILESO=COCC1CCC2C3CCC(C3)C12
InChIInChI=1S/C12H18O2/c13-7-14-6-10-3-4-11-8-1-2-9(5-8)12(10)11/h7-12H,1-6H2
InChIKeyJJOPSNLHZOGEIH-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tricyclo[5.2.1.02,6]decanylmethyl formate?
The IUPAC name of 3-tricyclo[5.2.1.02,6]decanylmethyl formate (CID 3034838) is 3-tricyclo[5.2.1.02,6]decanylmethyl formate.
What is the SMILES notation for 3-tricyclo[5.2.1.02,6]decanylmethyl formate?
The canonical SMILES for 3-tricyclo[5.2.1.02,6]decanylmethyl formate is O=COCC1CCC2C3CCC(C3)C12.
What is the InChIKey of 3-tricyclo[5.2.1.02,6]decanylmethyl formate?
The InChIKey is JJOPSNLHZOGEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c13-7-14-6-10-3-4-11-8-1-2-9(5-8)12(10)11/h7-12H,1-6H2.
What are the key properties of 3-tricyclo[5.2.1.02,6]decanylmethyl formate?
3-tricyclo[5.2.1.02,6]decanylmethyl formate has a molecular weight of 194.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tricyclo[5.2.1.02,6]decanylmethyl formate is sourced from PubChem (CID 3034838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).