7-[5-[(1R)-1-ethoxyethyl]cyclopenten-1-yl]heptyl acetate

C18H32O3 — CID 70536315

IUPAC7-[5-[(1R)-1-ethoxyethyl]cyclopenten-1-yl]heptyl acetate
SMILESCCO[C@H](C)C1CCC=C1CCCCCCCOC(C)=O
InChIInChI=1S/C18H32O3/c1-4-20-15(2)18-13-10-12-17(18)11-8-6-5-7-9-14-21-16(3)19/h12,15,18H,4-11,13-14H2,1-3H3/t15-,18?/m1/s1
InChIKeyPOCLKUDMDIFJSN-NNJIEVJOSA-N
MW296.45 g/mol
LogP4.65
Rot. Bonds11

About 7-[5-[(1R)-1-ethoxyethyl]cyclopenten-1-yl]heptyl acetate

7-[5-[(1R)-1-ethoxyethyl]cyclopenten-1-yl]heptyl acetate (PubChem CID 70536315) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 7-[5-[(1R)-1-ethoxyethyl]cyclopenten-1-yl]heptyl acetate.

Molecular Properties

Compound Name7-[5-[(1R)-1-ethoxyethyl]cyclopenten-1-yl]heptyl acetate
PubChem CID70536315
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name7-[5-[(1R)-1-ethoxyethyl]cyclopenten-1-yl]heptyl acetate
SMILESCCO[C@H](C)C1CCC=C1CCCCCCCOC(C)=O
InChIInChI=1S/C18H32O3/c1-4-20-15(2)18-13-10-12-17(18)11-8-6-5-7-9-14-21-16(3)19/h12,15,18H,4-11,13-14H2,1-3H3/t15-,18?/m1/s1
InChIKeyPOCLKUDMDIFJSN-NNJIEVJOSA-N
XLogP4.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(1R)-1-ethoxyethyl]cyclopenten-1-yl]heptyl acetate?
The IUPAC name of 7-[5-[(1R)-1-ethoxyethyl]cyclopenten-1-yl]heptyl acetate (CID 70536315) is 7-[5-[(1R)-1-ethoxyethyl]cyclopenten-1-yl]heptyl acetate.
What is the SMILES notation for 7-[5-[(1R)-1-ethoxyethyl]cyclopenten-1-yl]heptyl acetate?
The canonical SMILES for 7-[5-[(1R)-1-ethoxyethyl]cyclopenten-1-yl]heptyl acetate is CCO[C@H](C)C1CCC=C1CCCCCCCOC(C)=O.
What is the InChIKey of 7-[5-[(1R)-1-ethoxyethyl]cyclopenten-1-yl]heptyl acetate?
The InChIKey is POCLKUDMDIFJSN-NNJIEVJOSA-N. The full InChI is InChI=1S/C18H32O3/c1-4-20-15(2)18-13-10-12-17(18)11-8-6-5-7-9-14-21-16(3)19/h12,15,18H,4-11,13-14H2,1-3H3/t15-,18?/m1/s1.
What are the key properties of 7-[5-[(1R)-1-ethoxyethyl]cyclopenten-1-yl]heptyl acetate?
7-[5-[(1R)-1-ethoxyethyl]cyclopenten-1-yl]heptyl acetate has a molecular weight of 296.45 g/mol, XLogP of 4.65, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(1R)-1-ethoxyethyl]cyclopenten-1-yl]heptyl acetate is sourced from PubChem (CID 70536315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).