(2,6,8-trimethyl-9-oxo-6-tricyclo[6.3.0.01,5]undec-10-enyl)methyl 2-methylpropanoate

C19H28O3 — CID 162878520

IUPAC(2,6,8-trimethyl-9-oxo-6-tricyclo[6.3.0.01,5]undec-10-enyl)methyl 2-methylpropanoate
SMILESCC(C)C(=O)OCC1(C)CC2(C)C(=O)C=CC23C(C)CCC13
InChIInChI=1S/C19H28O3/c1-12(2)16(21)22-11-17(4)10-18(5)15(20)8-9-19(18)13(3)6-7-14(17)19/h8-9,12-14H,6-7,10-11H2,1-5H3
InChIKeyBVZLKCZFCYZOQZ-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.77
Rot. Bonds3

About (2,6,8-trimethyl-9-oxo-6-tricyclo[6.3.0.01,5]undec-10-enyl)methyl 2-methylpropanoate

(2,6,8-trimethyl-9-oxo-6-tricyclo[6.3.0.01,5]undec-10-enyl)methyl 2-methylpropanoate (PubChem CID 162878520) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2,6,8-trimethyl-9-oxo-6-tricyclo[6.3.0.01,5]undec-10-enyl)methyl 2-methylpropanoate.

Molecular Properties

Compound Name(2,6,8-trimethyl-9-oxo-6-tricyclo[6.3.0.01,5]undec-10-enyl)methyl 2-methylpropanoate
PubChem CID162878520
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name(2,6,8-trimethyl-9-oxo-6-tricyclo[6.3.0.01,5]undec-10-enyl)methyl 2-methylpropanoate
SMILESCC(C)C(=O)OCC1(C)CC2(C)C(=O)C=CC23C(C)CCC13
InChIInChI=1S/C19H28O3/c1-12(2)16(21)22-11-17(4)10-18(5)15(20)8-9-19(18)13(3)6-7-14(17)19/h8-9,12-14H,6-7,10-11H2,1-5H3
InChIKeyBVZLKCZFCYZOQZ-UHFFFAOYSA-N
XLogP3.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6,8-trimethyl-9-oxo-6-tricyclo[6.3.0.01,5]undec-10-enyl)methyl 2-methylpropanoate?
The IUPAC name of (2,6,8-trimethyl-9-oxo-6-tricyclo[6.3.0.01,5]undec-10-enyl)methyl 2-methylpropanoate (CID 162878520) is (2,6,8-trimethyl-9-oxo-6-tricyclo[6.3.0.01,5]undec-10-enyl)methyl 2-methylpropanoate.
What is the SMILES notation for (2,6,8-trimethyl-9-oxo-6-tricyclo[6.3.0.01,5]undec-10-enyl)methyl 2-methylpropanoate?
The canonical SMILES for (2,6,8-trimethyl-9-oxo-6-tricyclo[6.3.0.01,5]undec-10-enyl)methyl 2-methylpropanoate is CC(C)C(=O)OCC1(C)CC2(C)C(=O)C=CC23C(C)CCC13.
What is the InChIKey of (2,6,8-trimethyl-9-oxo-6-tricyclo[6.3.0.01,5]undec-10-enyl)methyl 2-methylpropanoate?
The InChIKey is BVZLKCZFCYZOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O3/c1-12(2)16(21)22-11-17(4)10-18(5)15(20)8-9-19(18)13(3)6-7-14(17)19/h8-9,12-14H,6-7,10-11H2,1-5H3.
What are the key properties of (2,6,8-trimethyl-9-oxo-6-tricyclo[6.3.0.01,5]undec-10-enyl)methyl 2-methylpropanoate?
(2,6,8-trimethyl-9-oxo-6-tricyclo[6.3.0.01,5]undec-10-enyl)methyl 2-methylpropanoate has a molecular weight of 304.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6,8-trimethyl-9-oxo-6-tricyclo[6.3.0.01,5]undec-10-enyl)methyl 2-methylpropanoate is sourced from PubChem (CID 162878520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).