1-[(1R)-1-(2-methoxyethoxy)-2,2-dimethylpropyl]cyclopentene

C13H24O2 — CID 101068105

IUPAC1-[(1R)-1-(2-methoxyethoxy)-2,2-dimethylpropyl]cyclopentene
SMILESCOCCO[C@@H](C1=CCCC1)C(C)(C)C
InChIInChI=1S/C13H24O2/c1-13(2,3)12(15-10-9-14-4)11-7-5-6-8-11/h7,12H,5-6,8-10H2,1-4H3/t12-/m0/s1
InChIKeyCNTKRPHQHLHTSS-LBPRGKRZSA-N
MW212.33 g/mol
LogP3.17
Rot. Bonds5

About 1-[(1R)-1-(2-methoxyethoxy)-2,2-dimethylpropyl]cyclopentene

1-[(1R)-1-(2-methoxyethoxy)-2,2-dimethylpropyl]cyclopentene (PubChem CID 101068105) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-[(1R)-1-(2-methoxyethoxy)-2,2-dimethylpropyl]cyclopentene.

Molecular Properties

Compound Name1-[(1R)-1-(2-methoxyethoxy)-2,2-dimethylpropyl]cyclopentene
PubChem CID101068105
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-[(1R)-1-(2-methoxyethoxy)-2,2-dimethylpropyl]cyclopentene
SMILESCOCCO[C@@H](C1=CCCC1)C(C)(C)C
InChIInChI=1S/C13H24O2/c1-13(2,3)12(15-10-9-14-4)11-7-5-6-8-11/h7,12H,5-6,8-10H2,1-4H3/t12-/m0/s1
InChIKeyCNTKRPHQHLHTSS-LBPRGKRZSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(1R)-1-(2-methoxyethoxy)-2,2-dimethylpropyl]cyclopentene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-methoxyethoxy)-2,2-dimethylpropyl]cyclopentene?
The IUPAC name of 1-[(1R)-1-(2-methoxyethoxy)-2,2-dimethylpropyl]cyclopentene (CID 101068105) is 1-[(1R)-1-(2-methoxyethoxy)-2,2-dimethylpropyl]cyclopentene.
What is the SMILES notation for 1-[(1R)-1-(2-methoxyethoxy)-2,2-dimethylpropyl]cyclopentene?
The canonical SMILES for 1-[(1R)-1-(2-methoxyethoxy)-2,2-dimethylpropyl]cyclopentene is COCCO[C@@H](C1=CCCC1)C(C)(C)C.
What is the InChIKey of 1-[(1R)-1-(2-methoxyethoxy)-2,2-dimethylpropyl]cyclopentene?
The InChIKey is CNTKRPHQHLHTSS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24O2/c1-13(2,3)12(15-10-9-14-4)11-7-5-6-8-11/h7,12H,5-6,8-10H2,1-4H3/t12-/m0/s1.
What are the key properties of 1-[(1R)-1-(2-methoxyethoxy)-2,2-dimethylpropyl]cyclopentene?
1-[(1R)-1-(2-methoxyethoxy)-2,2-dimethylpropyl]cyclopentene has a molecular weight of 212.33 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-methoxyethoxy)-2,2-dimethylpropyl]cyclopentene is sourced from PubChem (CID 101068105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).