4-ethoxy-3,4-dimethylcyclopentyne

C9H14O — CID 163556766

IUPAC4-ethoxy-3,4-dimethylcyclopentyne
SMILESCCOC1(C)CC#CC1C
InChIInChI=1S/C9H14O/c1-4-10-9(3)7-5-6-8(9)2/h8H,4,7H2,1-3H3
InChIKeyFNSRWKUNTDRDQA-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.82
Rot. Bonds2

About 4-ethoxy-3,4-dimethylcyclopentyne

4-ethoxy-3,4-dimethylcyclopentyne (PubChem CID 163556766) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-ethoxy-3,4-dimethylcyclopentyne.

Molecular Properties

Compound Name4-ethoxy-3,4-dimethylcyclopentyne
PubChem CID163556766
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name4-ethoxy-3,4-dimethylcyclopentyne
SMILESCCOC1(C)CC#CC1C
InChIInChI=1S/C9H14O/c1-4-10-9(3)7-5-6-8(9)2/h8H,4,7H2,1-3H3
InChIKeyFNSRWKUNTDRDQA-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3,4-dimethylcyclopentyne?
The IUPAC name of 4-ethoxy-3,4-dimethylcyclopentyne (CID 163556766) is 4-ethoxy-3,4-dimethylcyclopentyne.
What is the SMILES notation for 4-ethoxy-3,4-dimethylcyclopentyne?
The canonical SMILES for 4-ethoxy-3,4-dimethylcyclopentyne is CCOC1(C)CC#CC1C.
What is the InChIKey of 4-ethoxy-3,4-dimethylcyclopentyne?
The InChIKey is FNSRWKUNTDRDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-4-10-9(3)7-5-6-8(9)2/h8H,4,7H2,1-3H3.
What are the key properties of 4-ethoxy-3,4-dimethylcyclopentyne?
4-ethoxy-3,4-dimethylcyclopentyne has a molecular weight of 138.21 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3,4-dimethylcyclopentyne is sourced from PubChem (CID 163556766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).