(3-methyl-2-bicyclo[2.2.1]heptanyl) 2,5,6-trimethylbicyclo[2.2.1]heptane-2-carboxylate

C19H30O2 — CID 20826512

IUPAC(3-methyl-2-bicyclo[2.2.1]heptanyl) 2,5,6-trimethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCC1C2CC(C1C)C(C)(C(=O)OC1C3CCC(C3)C1C)C2
InChIInChI=1S/C19H30O2/c1-10-11(2)16-8-15(10)9-19(16,4)18(20)21-17-12(3)13-5-6-14(17)7-13/h10-17H,5-9H2,1-4H3
InChIKeyQVWNQLWQRIPJMI-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.28
Rot. Bonds2

About (3-methyl-2-bicyclo[2.2.1]heptanyl) 2,5,6-trimethylbicyclo[2.2.1]heptane-2-carboxylate

(3-methyl-2-bicyclo[2.2.1]heptanyl) 2,5,6-trimethylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 20826512) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (3-methyl-2-bicyclo[2.2.1]heptanyl) 2,5,6-trimethylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name(3-methyl-2-bicyclo[2.2.1]heptanyl) 2,5,6-trimethylbicyclo[2.2.1]heptane-2-carboxylate
PubChem CID20826512
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name(3-methyl-2-bicyclo[2.2.1]heptanyl) 2,5,6-trimethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCC1C2CC(C1C)C(C)(C(=O)OC1C3CCC(C3)C1C)C2
InChIInChI=1S/C19H30O2/c1-10-11(2)16-8-15(10)9-19(16,4)18(20)21-17-12(3)13-5-6-14(17)7-13/h10-17H,5-9H2,1-4H3
InChIKeyQVWNQLWQRIPJMI-UHFFFAOYSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-bicyclo[2.2.1]heptanyl) 2,5,6-trimethylbicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of (3-methyl-2-bicyclo[2.2.1]heptanyl) 2,5,6-trimethylbicyclo[2.2.1]heptane-2-carboxylate (CID 20826512) is (3-methyl-2-bicyclo[2.2.1]heptanyl) 2,5,6-trimethylbicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for (3-methyl-2-bicyclo[2.2.1]heptanyl) 2,5,6-trimethylbicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for (3-methyl-2-bicyclo[2.2.1]heptanyl) 2,5,6-trimethylbicyclo[2.2.1]heptane-2-carboxylate is CC1C2CC(C1C)C(C)(C(=O)OC1C3CCC(C3)C1C)C2.
What is the InChIKey of (3-methyl-2-bicyclo[2.2.1]heptanyl) 2,5,6-trimethylbicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is QVWNQLWQRIPJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-10-11(2)16-8-15(10)9-19(16,4)18(20)21-17-12(3)13-5-6-14(17)7-13/h10-17H,5-9H2,1-4H3.
What are the key properties of (3-methyl-2-bicyclo[2.2.1]heptanyl) 2,5,6-trimethylbicyclo[2.2.1]heptane-2-carboxylate?
(3-methyl-2-bicyclo[2.2.1]heptanyl) 2,5,6-trimethylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 290.45 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-bicyclo[2.2.1]heptanyl) 2,5,6-trimethylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 20826512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).