(10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl) propanoate

C15H22O2 — CID 118976579

IUPAC(10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl) propanoate
SMILESCCC(=O)OC1CC2C3C=CCC3C1C2(C)C
InChIInChI=1S/C15H22O2/c1-4-13(16)17-12-8-11-9-6-5-7-10(9)14(12)15(11,2)3/h5-6,9-12,14H,4,7-8H2,1-3H3
InChIKeyOSWSIHUODDHVHZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.18
Rot. Bonds2

About (10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl) propanoate

(10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl) propanoate (PubChem CID 118976579) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl) propanoate.

Molecular Properties

Compound Name(10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl) propanoate
PubChem CID118976579
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl) propanoate
SMILESCCC(=O)OC1CC2C3C=CCC3C1C2(C)C
InChIInChI=1S/C15H22O2/c1-4-13(16)17-12-8-11-9-6-5-7-10(9)14(12)15(11,2)3/h5-6,9-12,14H,4,7-8H2,1-3H3
InChIKeyOSWSIHUODDHVHZ-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl) propanoate?
The IUPAC name of (10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl) propanoate (CID 118976579) is (10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl) propanoate.
What is the SMILES notation for (10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl) propanoate?
The canonical SMILES for (10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl) propanoate is CCC(=O)OC1CC2C3C=CCC3C1C2(C)C.
What is the InChIKey of (10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl) propanoate?
The InChIKey is OSWSIHUODDHVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-13(16)17-12-8-11-9-6-5-7-10(9)14(12)15(11,2)3/h5-6,9-12,14H,4,7-8H2,1-3H3.
What are the key properties of (10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl) propanoate?
(10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl) propanoate has a molecular weight of 234.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10,10-dimethyl-8-tricyclo[5.2.1.02,6]dec-3-enyl) propanoate is sourced from PubChem (CID 118976579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).