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

C18H30O2 — CID 20681905

IUPAC(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate
SMILESCC1CC(C)C(C(=O)OC2(C(C)C)CC3CCC2C3)C1
InChIInChI=1S/C18H30O2/c1-11(2)18(10-14-5-6-15(18)9-14)20-17(19)16-8-12(3)7-13(16)4/h11-16H,5-10H2,1-4H3
InChIKeyAKBDZDUYKJBQRT-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.43
Rot. Bonds3

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

(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate (PubChem CID 20681905) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate
PubChem CID20681905
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate
SMILESCC1CC(C)C(C(=O)OC2(C(C)C)CC3CCC2C3)C1
InChIInChI=1S/C18H30O2/c1-11(2)18(10-14-5-6-15(18)9-14)20-17(19)16-8-12(3)7-13(16)4/h11-16H,5-10H2,1-4H3
InChIKeyAKBDZDUYKJBQRT-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate?
The IUPAC name of (2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate (CID 20681905) is (2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate.
What is the SMILES notation for (2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate?
The canonical SMILES for (2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate is CC1CC(C)C(C(=O)OC2(C(C)C)CC3CCC2C3)C1.
What is the InChIKey of (2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate?
The InChIKey is AKBDZDUYKJBQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-11(2)18(10-14-5-6-15(18)9-14)20-17(19)16-8-12(3)7-13(16)4/h11-16H,5-10H2,1-4H3.
What are the key properties of (2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate?
(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate has a molecular weight of 278.44 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,4-dimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 20681905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).