propyl 2,2-dimethylcyclopentane-1-carboxylate

C11H20O2 — CID 104918779

IUPACpropyl 2,2-dimethylcyclopentane-1-carboxylate
SMILESCCCOC(=O)C1CCCC1(C)C
InChIInChI=1S/C11H20O2/c1-4-8-13-10(12)9-6-5-7-11(9,2)3/h9H,4-8H2,1-3H3
InChIKeyJYEIIYRJQVOUQH-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.77
Rot. Bonds3

About propyl 2,2-dimethylcyclopentane-1-carboxylate

propyl 2,2-dimethylcyclopentane-1-carboxylate (PubChem CID 104918779) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is propyl 2,2-dimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namepropyl 2,2-dimethylcyclopentane-1-carboxylate
PubChem CID104918779
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namepropyl 2,2-dimethylcyclopentane-1-carboxylate
SMILESCCCOC(=O)C1CCCC1(C)C
InChIInChI=1S/C11H20O2/c1-4-8-13-10(12)9-6-5-7-11(9,2)3/h9H,4-8H2,1-3H3
InChIKeyJYEIIYRJQVOUQH-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propyl 2,2-dimethyl-6-methylidenecyclohexane-1-carboxylate
CID 19833862
butyl 2,2-dimethylcyclopropane-1-carboxylate
CID 12505854
1-(2,2-dimethylcyclopentyl)heptan-1-one
CID 107186757
N-(2-methoxyethoxy)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918028
cis-ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate
CID 54441398
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
dioctyl 1-methylcyclohexane-1,2-dicarboxylate
CID 20552029
1-prop-2-enoyloxy-2-propoxycarbonylcyclohexane-1-carboxylic acid
CID 174501872
(1S)-2,2-dimethylcyclohexane-1-carboxamide
CID 90019535
tripropyl cyclopropane-1,2,3-tricarboxylate
CID 177455130
1-(2,2-dimethylcyclohexyl)hexan-1-one
CID 107186772
(2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone
CID 107186902

Frequently Asked Questions

What is the IUPAC name of propyl 2,2-dimethylcyclopentane-1-carboxylate?
The IUPAC name of propyl 2,2-dimethylcyclopentane-1-carboxylate (CID 104918779) is propyl 2,2-dimethylcyclopentane-1-carboxylate.
What is the SMILES notation for propyl 2,2-dimethylcyclopentane-1-carboxylate?
The canonical SMILES for propyl 2,2-dimethylcyclopentane-1-carboxylate is CCCOC(=O)C1CCCC1(C)C.
What is the InChIKey of propyl 2,2-dimethylcyclopentane-1-carboxylate?
The InChIKey is JYEIIYRJQVOUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-8-13-10(12)9-6-5-7-11(9,2)3/h9H,4-8H2,1-3H3.
What are the key properties of propyl 2,2-dimethylcyclopentane-1-carboxylate?
propyl 2,2-dimethylcyclopentane-1-carboxylate has a molecular weight of 184.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2,2-dimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 104918779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).