(4R)-4-(2-methoxyethyl)-1,3,3-trimethylcyclopentene

C11H20O — CID 15348626

IUPAC(4R)-4-(2-methoxyethyl)-1,3,3-trimethylcyclopentene
SMILESCOCC[C@H]1CC(C)=CC1(C)C
InChIInChI=1S/C11H20O/c1-9-7-10(5-6-12-4)11(2,3)8-9/h8,10H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyOYWZKMYQOLNHAL-JTQLQIEISA-N
MW168.28 g/mol
LogP3.02
Rot. Bonds3

About (4R)-4-(2-methoxyethyl)-1,3,3-trimethylcyclopentene

(4R)-4-(2-methoxyethyl)-1,3,3-trimethylcyclopentene (PubChem CID 15348626) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (4R)-4-(2-methoxyethyl)-1,3,3-trimethylcyclopentene.

Molecular Properties

Compound Name(4R)-4-(2-methoxyethyl)-1,3,3-trimethylcyclopentene
PubChem CID15348626
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(4R)-4-(2-methoxyethyl)-1,3,3-trimethylcyclopentene
SMILESCOCC[C@H]1CC(C)=CC1(C)C
InChIInChI=1S/C11H20O/c1-9-7-10(5-6-12-4)11(2,3)8-9/h8,10H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyOYWZKMYQOLNHAL-JTQLQIEISA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-methoxyethyl)-1,3,3-trimethylcyclopentene?
The IUPAC name of (4R)-4-(2-methoxyethyl)-1,3,3-trimethylcyclopentene (CID 15348626) is (4R)-4-(2-methoxyethyl)-1,3,3-trimethylcyclopentene.
What is the SMILES notation for (4R)-4-(2-methoxyethyl)-1,3,3-trimethylcyclopentene?
The canonical SMILES for (4R)-4-(2-methoxyethyl)-1,3,3-trimethylcyclopentene is COCC[C@H]1CC(C)=CC1(C)C.
What is the InChIKey of (4R)-4-(2-methoxyethyl)-1,3,3-trimethylcyclopentene?
The InChIKey is OYWZKMYQOLNHAL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20O/c1-9-7-10(5-6-12-4)11(2,3)8-9/h8,10H,5-7H2,1-4H3/t10-/m0/s1.
What are the key properties of (4R)-4-(2-methoxyethyl)-1,3,3-trimethylcyclopentene?
(4R)-4-(2-methoxyethyl)-1,3,3-trimethylcyclopentene has a molecular weight of 168.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methoxyethyl)-1,3,3-trimethylcyclopentene is sourced from PubChem (CID 15348626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).