2-pentyltetradec-1-en-1-one

C19H36O — CID 175773273

IUPAC2-pentyltetradec-1-en-1-one
SMILESCCCCCCCCCCCCC(=C=O)CCCCC
InChIInChI=1S/C19H36O/c1-3-5-7-8-9-10-11-12-13-15-17-19(18-20)16-14-6-4-2/h3-17H2,1-2H3
InChIKeyXFRURUTZODGHEH-UHFFFAOYSA-N
MW280.50 g/mol
LogP6.64
Rot. Bonds15

About 2-pentyltetradec-1-en-1-one

2-pentyltetradec-1-en-1-one (PubChem CID 175773273) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-pentyltetradec-1-en-1-one.

Molecular Properties

Compound Name2-pentyltetradec-1-en-1-one
PubChem CID175773273
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name2-pentyltetradec-1-en-1-one
SMILESCCCCCCCCCCCCC(=C=O)CCCCC
InChIInChI=1S/C19H36O/c1-3-5-7-8-9-10-11-12-13-15-17-19(18-20)16-14-6-4-2/h3-17H2,1-2H3
InChIKeyXFRURUTZODGHEH-UHFFFAOYSA-N
XLogP6.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

12-(oxomethylidene)octadecanoic acid
CID 141120362
carbon dioxide;tricosanoic acid
CID 162218172
2-methoxydec-1-en-1-one
CID 134874211
oxolan-2-one;12-(oxomethylidene)octadecanoic acid
CID 159831329
octacosan-8-one
CID 86052342
pentacosane-7,19-dione
CID 139254510
nonatriacontane-16,17-dione
CID 175447711
nonadecan-7-one
CID 12913434
pentacosan-7-one
CID 54551687
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888

Frequently Asked Questions

What is the IUPAC name of 2-pentyltetradec-1-en-1-one?
The IUPAC name of 2-pentyltetradec-1-en-1-one (CID 175773273) is 2-pentyltetradec-1-en-1-one.
What is the SMILES notation for 2-pentyltetradec-1-en-1-one?
The canonical SMILES for 2-pentyltetradec-1-en-1-one is CCCCCCCCCCCCC(=C=O)CCCCC.
What is the InChIKey of 2-pentyltetradec-1-en-1-one?
The InChIKey is XFRURUTZODGHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-3-5-7-8-9-10-11-12-13-15-17-19(18-20)16-14-6-4-2/h3-17H2,1-2H3.
What are the key properties of 2-pentyltetradec-1-en-1-one?
2-pentyltetradec-1-en-1-one has a molecular weight of 280.50 g/mol, XLogP of 6.64, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyltetradec-1-en-1-one is sourced from PubChem (CID 175773273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).