(3,3-dimethylcyclobutyl)methyl 2-cyclobutyloxy-4,6-dimethylpyridine-3-carboxylate

C19H27NO3 — CID 155970074

IUPAC(3,3-dimethylcyclobutyl)methyl 2-cyclobutyloxy-4,6-dimethylpyridine-3-carboxylate
SMILESCc1cc(C)c(C(=O)OCC2CC(C)(C)C2)c(OC2CCC2)n1
InChIInChI=1S/C19H27NO3/c1-12-8-13(2)20-17(23-15-6-5-7-15)16(12)18(21)22-11-14-9-19(3,4)10-14/h8,14-15H,5-7,9-11H2,1-4H3
InChIKeyCAHBEMMRKYQQEC-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.22
Rot. Bonds5

About (3,3-dimethylcyclobutyl)methyl 2-cyclobutyloxy-4,6-dimethylpyridine-3-carboxylate

(3,3-dimethylcyclobutyl)methyl 2-cyclobutyloxy-4,6-dimethylpyridine-3-carboxylate (PubChem CID 155970074) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (3,3-dimethylcyclobutyl)methyl 2-cyclobutyloxy-4,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Name(3,3-dimethylcyclobutyl)methyl 2-cyclobutyloxy-4,6-dimethylpyridine-3-carboxylate
PubChem CID155970074
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(3,3-dimethylcyclobutyl)methyl 2-cyclobutyloxy-4,6-dimethylpyridine-3-carboxylate
SMILESCc1cc(C)c(C(=O)OCC2CC(C)(C)C2)c(OC2CCC2)n1
InChIInChI=1S/C19H27NO3/c1-12-8-13(2)20-17(23-15-6-5-7-15)16(12)18(21)22-11-14-9-19(3,4)10-14/h8,14-15H,5-7,9-11H2,1-4H3
InChIKeyCAHBEMMRKYQQEC-UHFFFAOYSA-N
XLogP4.22
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylcyclobutyl)methyl 2-cyclobutyloxy-4,6-dimethylpyridine-3-carboxylate?
The IUPAC name of (3,3-dimethylcyclobutyl)methyl 2-cyclobutyloxy-4,6-dimethylpyridine-3-carboxylate (CID 155970074) is (3,3-dimethylcyclobutyl)methyl 2-cyclobutyloxy-4,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for (3,3-dimethylcyclobutyl)methyl 2-cyclobutyloxy-4,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for (3,3-dimethylcyclobutyl)methyl 2-cyclobutyloxy-4,6-dimethylpyridine-3-carboxylate is Cc1cc(C)c(C(=O)OCC2CC(C)(C)C2)c(OC2CCC2)n1.
What is the InChIKey of (3,3-dimethylcyclobutyl)methyl 2-cyclobutyloxy-4,6-dimethylpyridine-3-carboxylate?
The InChIKey is CAHBEMMRKYQQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-12-8-13(2)20-17(23-15-6-5-7-15)16(12)18(21)22-11-14-9-19(3,4)10-14/h8,14-15H,5-7,9-11H2,1-4H3.
What are the key properties of (3,3-dimethylcyclobutyl)methyl 2-cyclobutyloxy-4,6-dimethylpyridine-3-carboxylate?
(3,3-dimethylcyclobutyl)methyl 2-cyclobutyloxy-4,6-dimethylpyridine-3-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylcyclobutyl)methyl 2-cyclobutyloxy-4,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 155970074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).