1-ethenyl-2-(7-methoxyheptyl)cyclopentane

C15H28O — CID 123427553

IUPAC1-ethenyl-2-(7-methoxyheptyl)cyclopentane
SMILESC=CC1CCCC1CCCCCCCOC
InChIInChI=1S/C15H28O/c1-3-14-11-9-12-15(14)10-7-5-4-6-8-13-16-2/h3,14-15H,1,4-13H2,2H3
InChIKeyIZWRKJXROVLWIA-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.58
Rot. Bonds9

About 1-ethenyl-2-(7-methoxyheptyl)cyclopentane

1-ethenyl-2-(7-methoxyheptyl)cyclopentane (PubChem CID 123427553) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-ethenyl-2-(7-methoxyheptyl)cyclopentane.

Molecular Properties

Compound Name1-ethenyl-2-(7-methoxyheptyl)cyclopentane
PubChem CID123427553
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-ethenyl-2-(7-methoxyheptyl)cyclopentane
SMILESC=CC1CCCC1CCCCCCCOC
InChIInChI=1S/C15H28O/c1-3-14-11-9-12-15(14)10-7-5-4-6-8-13-16-2/h3,14-15H,1,4-13H2,2H3
InChIKeyIZWRKJXROVLWIA-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-ethenyl-2-(7-methoxyheptyl)cyclopentane?
The IUPAC name of 1-ethenyl-2-(7-methoxyheptyl)cyclopentane (CID 123427553) is 1-ethenyl-2-(7-methoxyheptyl)cyclopentane.
What is the SMILES notation for 1-ethenyl-2-(7-methoxyheptyl)cyclopentane?
The canonical SMILES for 1-ethenyl-2-(7-methoxyheptyl)cyclopentane is C=CC1CCCC1CCCCCCCOC.
What is the InChIKey of 1-ethenyl-2-(7-methoxyheptyl)cyclopentane?
The InChIKey is IZWRKJXROVLWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-3-14-11-9-12-15(14)10-7-5-4-6-8-13-16-2/h3,14-15H,1,4-13H2,2H3.
What are the key properties of 1-ethenyl-2-(7-methoxyheptyl)cyclopentane?
1-ethenyl-2-(7-methoxyheptyl)cyclopentane has a molecular weight of 224.39 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-(7-methoxyheptyl)cyclopentane is sourced from PubChem (CID 123427553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).