(4R)-4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)heptyl]cyclopent-2-en-1-one

C20H36O5 — CID 22806289

IUPAC(4R)-4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)heptyl]cyclopent-2-en-1-one
SMILESCCOC(C)OCCCCCCCC1=C[C@H](OC(C)OCC)CC1=O
InChIInChI=1S/C20H36O5/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/h14,16-17,19H,5-13,15H2,1-4H3/t16?,17?,19-/m0/s1
InChIKeyWQFDBJNDVZLOHP-TVPLGVNVSA-N
MW356.50 g/mol
LogP4.39
Rot. Bonds15

About (4R)-4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)heptyl]cyclopent-2-en-1-one

(4R)-4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)heptyl]cyclopent-2-en-1-one (PubChem CID 22806289) has the molecular formula C20H36O5 and a molecular weight of 356.50 g/mol. Its IUPAC name is (4R)-4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)heptyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)heptyl]cyclopent-2-en-1-one
PubChem CID22806289
Molecular FormulaC20H36O5
Molecular Weight356.50 g/mol
Exact Mass356.26
IUPAC Name(4R)-4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)heptyl]cyclopent-2-en-1-one
SMILESCCOC(C)OCCCCCCCC1=C[C@H](OC(C)OCC)CC1=O
InChIInChI=1S/C20H36O5/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/h14,16-17,19H,5-13,15H2,1-4H3/t16?,17?,19-/m0/s1
InChIKeyWQFDBJNDVZLOHP-TVPLGVNVSA-N
XLogP4.39
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.39
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 (4R)-4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)heptyl]cyclopent-2-en-1-one?
The IUPAC name of (4R)-4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)heptyl]cyclopent-2-en-1-one (CID 22806289) is (4R)-4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)heptyl]cyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)heptyl]cyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)heptyl]cyclopent-2-en-1-one is CCOC(C)OCCCCCCCC1=C[C@H](OC(C)OCC)CC1=O.
What is the InChIKey of (4R)-4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)heptyl]cyclopent-2-en-1-one?
The InChIKey is WQFDBJNDVZLOHP-TVPLGVNVSA-N. The full InChI is InChI=1S/C20H36O5/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/h14,16-17,19H,5-13,15H2,1-4H3/t16?,17?,19-/m0/s1.
What are the key properties of (4R)-4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)heptyl]cyclopent-2-en-1-one?
(4R)-4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)heptyl]cyclopent-2-en-1-one has a molecular weight of 356.50 g/mol, XLogP of 4.39, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-ethoxyethoxy)-2-[7-(1-ethoxyethoxy)heptyl]cyclopent-2-en-1-one is sourced from PubChem (CID 22806289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).