pentylidenecyclopentadecane

C20H38 — CID 151655236

IUPACpentylidenecyclopentadecane
SMILESCCCCC=C1CCCCCCCCCCCCCC1
InChIInChI=1S/C20H38/c1-2-3-14-17-20-18-15-12-10-8-6-4-5-7-9-11-13-16-19-20/h17H,2-16,18-19H2,1H3
InChIKeyQVIYCRNCYYXKCO-UHFFFAOYSA-N
MW278.52 g/mol
LogP7.58
Rot. Bonds3

About pentylidenecyclopentadecane

pentylidenecyclopentadecane (PubChem CID 151655236) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is pentylidenecyclopentadecane.

Molecular Properties

Compound Namepentylidenecyclopentadecane
PubChem CID151655236
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Namepentylidenecyclopentadecane
SMILESCCCCC=C1CCCCCCCCCCCCCC1
InChIInChI=1S/C20H38/c1-2-3-14-17-20-18-15-12-10-8-6-4-5-7-9-11-13-16-19-20/h17H,2-16,18-19H2,1H3
InChIKeyQVIYCRNCYYXKCO-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 57.58
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 pentylidenecyclopentadecane?
The IUPAC name of pentylidenecyclopentadecane (CID 151655236) is pentylidenecyclopentadecane.
What is the SMILES notation for pentylidenecyclopentadecane?
The canonical SMILES for pentylidenecyclopentadecane is CCCCC=C1CCCCCCCCCCCCCC1.
What is the InChIKey of pentylidenecyclopentadecane?
The InChIKey is QVIYCRNCYYXKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-2-3-14-17-20-18-15-12-10-8-6-4-5-7-9-11-13-16-19-20/h17H,2-16,18-19H2,1H3.
What are the key properties of pentylidenecyclopentadecane?
pentylidenecyclopentadecane has a molecular weight of 278.52 g/mol, XLogP of 7.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentylidenecyclopentadecane is sourced from PubChem (CID 151655236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).