icos-1-en-2-ylcyclopentane

C25H48 — CID 57186295

IUPACicos-1-en-2-ylcyclopentane
SMILESC=C(CCCCCCCCCCCCCCCCCC)C1CCCC1
InChIInChI=1S/C25H48/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(2)25-22-19-20-23-25/h25H,2-23H2,1H3
InChIKeyQCGOFVNXKOTZQS-UHFFFAOYSA-N
MW348.66 g/mol
LogP9.38
Rot. Bonds18

About icos-1-en-2-ylcyclopentane

icos-1-en-2-ylcyclopentane (PubChem CID 57186295) has the molecular formula C25H48 and a molecular weight of 348.66 g/mol. Its IUPAC name is icos-1-en-2-ylcyclopentane.

Molecular Properties

Compound Nameicos-1-en-2-ylcyclopentane
PubChem CID57186295
Molecular FormulaC25H48
Molecular Weight348.66 g/mol
Exact Mass348.38
IUPAC Nameicos-1-en-2-ylcyclopentane
SMILESC=C(CCCCCCCCCCCCCCCCCC)C1CCCC1
InChIInChI=1S/C25H48/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(2)25-22-19-20-23-25/h25H,2-23H2,1H3
InChIKeyQCGOFVNXKOTZQS-UHFFFAOYSA-N
XLogP9.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.66
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 icos-1-en-2-ylcyclopentane?
The IUPAC name of icos-1-en-2-ylcyclopentane (CID 57186295) is icos-1-en-2-ylcyclopentane.
What is the SMILES notation for icos-1-en-2-ylcyclopentane?
The canonical SMILES for icos-1-en-2-ylcyclopentane is C=C(CCCCCCCCCCCCCCCCCC)C1CCCC1.
What is the InChIKey of icos-1-en-2-ylcyclopentane?
The InChIKey is QCGOFVNXKOTZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(2)25-22-19-20-23-25/h25H,2-23H2,1H3.
What are the key properties of icos-1-en-2-ylcyclopentane?
icos-1-en-2-ylcyclopentane has a molecular weight of 348.66 g/mol, XLogP of 9.38, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for icos-1-en-2-ylcyclopentane is sourced from PubChem (CID 57186295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).