(2-butyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate

C19H32O2 — CID 20681887

IUPAC(2-butyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate
SMILESCCCCC1(OC(=O)C2CC(C)CC2C)CC2CCC1C2
InChIInChI=1S/C19H32O2/c1-4-5-8-19(12-15-6-7-16(19)11-15)21-18(20)17-10-13(2)9-14(17)3/h13-17H,4-12H2,1-3H3
InChIKeyHEAJEWRUCSNOJD-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.96
Rot. Bonds5

About (2-butyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate

(2-butyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate (PubChem CID 20681887) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is (2-butyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name(2-butyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate
PubChem CID20681887
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name(2-butyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate
SMILESCCCCC1(OC(=O)C2CC(C)CC2C)CC2CCC1C2
InChIInChI=1S/C19H32O2/c1-4-5-8-19(12-15-6-7-16(19)11-15)21-18(20)17-10-13(2)9-14(17)3/h13-17H,4-12H2,1-3H3
InChIKeyHEAJEWRUCSNOJD-UHFFFAOYSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-butyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate?
The IUPAC name of (2-butyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate (CID 20681887) is (2-butyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate.
What is the SMILES notation for (2-butyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate?
The canonical SMILES for (2-butyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate is CCCCC1(OC(=O)C2CC(C)CC2C)CC2CCC1C2.
What is the InChIKey of (2-butyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate?
The InChIKey is HEAJEWRUCSNOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-4-5-8-19(12-15-6-7-16(19)11-15)21-18(20)17-10-13(2)9-14(17)3/h13-17H,4-12H2,1-3H3.
What are the key properties of (2-butyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate?
(2-butyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate has a molecular weight of 292.46 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 20681887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).