4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)hept-1-enyl]cyclopent-2-en-1-one

C20H34O5 — CID 70545728

IUPAC4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)hept-1-enyl]cyclopent-2-en-1-one
SMILESCCOC(C)OCCCCCC=CC1=CC(OC(C)OCC)CC1=O
InChIInChI=1S/C20H34O5/c1-5-22-16(3)24-13-11-9-7-8-10-12-18-14-19(15-20(18)21)25-17(4)23-6-2/h10,12,14,16-17,19H,5-9,11,13,15H2,1-4H3
InChIKeyFQSVNEOPAAIAMZ-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.17
Rot. Bonds14

About 4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)hept-1-enyl]cyclopent-2-en-1-one

4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)hept-1-enyl]cyclopent-2-en-1-one (PubChem CID 70545728) has the molecular formula C20H34O5 and a molecular weight of 354.49 g/mol. Its IUPAC name is 4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)hept-1-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)hept-1-enyl]cyclopent-2-en-1-one
PubChem CID70545728
Molecular FormulaC20H34O5
Molecular Weight354.49 g/mol
Exact Mass354.24
IUPAC Name4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)hept-1-enyl]cyclopent-2-en-1-one
SMILESCCOC(C)OCCCCCC=CC1=CC(OC(C)OCC)CC1=O
InChIInChI=1S/C20H34O5/c1-5-22-16(3)24-13-11-9-7-8-10-12-18-14-19(15-20(18)21)25-17(4)23-6-2/h10,12,14,16-17,19H,5-9,11,13,15H2,1-4H3
InChIKeyFQSVNEOPAAIAMZ-UHFFFAOYSA-N
XLogP4.17
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)hept-1-enyl]cyclopent-2-en-1-one?
The IUPAC name of 4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)hept-1-enyl]cyclopent-2-en-1-one (CID 70545728) is 4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)hept-1-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for 4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)hept-1-enyl]cyclopent-2-en-1-one?
The canonical SMILES for 4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)hept-1-enyl]cyclopent-2-en-1-one is CCOC(C)OCCCCCC=CC1=CC(OC(C)OCC)CC1=O.
What is the InChIKey of 4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)hept-1-enyl]cyclopent-2-en-1-one?
The InChIKey is FQSVNEOPAAIAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O5/c1-5-22-16(3)24-13-11-9-7-8-10-12-18-14-19(15-20(18)21)25-17(4)23-6-2/h10,12,14,16-17,19H,5-9,11,13,15H2,1-4H3.
What are the key properties of 4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)hept-1-enyl]cyclopent-2-en-1-one?
4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)hept-1-enyl]cyclopent-2-en-1-one has a molecular weight of 354.49 g/mol, XLogP of 4.17, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)hept-1-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 70545728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).