nonadec-10-enylbenzene

C25H42 — CID 54264053

IUPACnonadec-10-enylbenzene
SMILESCCCCCCCCC=CCCCCCCCCCc1ccccc1
InChIInChI=1S/C25H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-23-20-18-21-24-25/h9-10,18,20-21,23-24H,2-8,11-17,19,22H2,1H3
InChIKeyZHPWFPGOKGKSQH-UHFFFAOYSA-N
MW342.61 g/mol
LogP8.66
Rot. Bonds17

About nonadec-10-enylbenzene

nonadec-10-enylbenzene (PubChem CID 54264053) has the molecular formula C25H42 and a molecular weight of 342.61 g/mol. Its IUPAC name is nonadec-10-enylbenzene.

Molecular Properties

Compound Namenonadec-10-enylbenzene
PubChem CID54264053
Molecular FormulaC25H42
Molecular Weight342.61 g/mol
Exact Mass342.33
IUPAC Namenonadec-10-enylbenzene
SMILESCCCCCCCCC=CCCCCCCCCCc1ccccc1
InChIInChI=1S/C25H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-23-20-18-21-24-25/h9-10,18,20-21,23-24H,2-8,11-17,19,22H2,1H3
InChIKeyZHPWFPGOKGKSQH-UHFFFAOYSA-N
XLogP8.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 58.66
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 nonadec-10-enylbenzene?
The IUPAC name of nonadec-10-enylbenzene (CID 54264053) is nonadec-10-enylbenzene.
What is the SMILES notation for nonadec-10-enylbenzene?
The canonical SMILES for nonadec-10-enylbenzene is CCCCCCCCC=CCCCCCCCCCc1ccccc1.
What is the InChIKey of nonadec-10-enylbenzene?
The InChIKey is ZHPWFPGOKGKSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-23-20-18-21-24-25/h9-10,18,20-21,23-24H,2-8,11-17,19,22H2,1H3.
What are the key properties of nonadec-10-enylbenzene?
nonadec-10-enylbenzene has a molecular weight of 342.61 g/mol, XLogP of 8.66, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonadec-10-enylbenzene is sourced from PubChem (CID 54264053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).