tetradec-1-en-5-one

C14H26O — CID 11195184

IUPACtetradec-1-en-5-one
SMILESC=CCCC(=O)CCCCCCCCC
InChIInChI=1S/C14H26O/c1-3-5-7-8-9-10-11-13-14(15)12-6-4-2/h4H,2-3,5-13H2,1H3
InChIKeyODLIIOIKNZNRLR-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.66
Rot. Bonds11

About tetradec-1-en-5-one

tetradec-1-en-5-one (PubChem CID 11195184) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is tetradec-1-en-5-one.

Molecular Properties

Compound Nametetradec-1-en-5-one
PubChem CID11195184
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Nametetradec-1-en-5-one
SMILESC=CCCC(=O)CCCCCCCCC
InChIInChI=1S/C14H26O/c1-3-5-7-8-9-10-11-13-14(15)12-6-4-2/h4H,2-3,5-13H2,1H3
InChIKeyODLIIOIKNZNRLR-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.66
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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Related Compounds

pentacos-1-en-11-one
CID 21420755
pentadec-14-en-7-one
CID 11528685
tricos-1-en-11-one
CID 146680996
hexadec-15-en-5-one
CID 91482743
ethene;tridecan-7-one
CID 159715360
nonatriacontane-8,29-dione
CID 150237018
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687

Frequently Asked Questions

What is the IUPAC name of tetradec-1-en-5-one?
The IUPAC name of tetradec-1-en-5-one (CID 11195184) is tetradec-1-en-5-one.
What is the SMILES notation for tetradec-1-en-5-one?
The canonical SMILES for tetradec-1-en-5-one is C=CCCC(=O)CCCCCCCCC.
What is the InChIKey of tetradec-1-en-5-one?
The InChIKey is ODLIIOIKNZNRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-3-5-7-8-9-10-11-13-14(15)12-6-4-2/h4H,2-3,5-13H2,1H3.
What are the key properties of tetradec-1-en-5-one?
tetradec-1-en-5-one has a molecular weight of 210.36 g/mol, XLogP of 4.66, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-1-en-5-one is sourced from PubChem (CID 11195184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).