tetradec-13-en-3-one

C14H26O — CID 56936218

IUPACtetradec-13-en-3-one
SMILESC=CCCCCCCCCCC(=O)CC
InChIInChI=1S/C14H26O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h3H,1,4-13H2,2H3
InChIKeyXTFWXOWQURZTRR-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.66
Rot. Bonds11

About tetradec-13-en-3-one

tetradec-13-en-3-one (PubChem CID 56936218) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is tetradec-13-en-3-one.

Molecular Properties

Compound Nametetradec-13-en-3-one
PubChem CID56936218
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Nametetradec-13-en-3-one
SMILESC=CCCCCCCCCCC(=O)CC
InChIInChI=1S/C14H26O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h3H,1,4-13H2,2H3
InChIKeyXTFWXOWQURZTRR-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

12-Tridecen-2-one
CID 10888854
Civetone
CID 5315941
9-Decen-2-one
CID 118782
8-Nonen-2-one
CID 21108
8-Cyclohexadecen-1-one
CID 6365152
10-Undecen-2-one
CID 118928
5-Cyclohexadecen-1-one
CID 162268
(8Z)-cyclohexadec-8-en-1-one
CID 5362739
Cyclohexadec-8-en-1-one
CID 534634
2-Pentyl-1-buten-3-one
CID 62218
(Z)-9-cycloheptadecen-1-one
CID 11334208
Non-1-en-3-one
CID 181106

Frequently Asked Questions

What is the IUPAC name of tetradec-13-en-3-one?
The IUPAC name of tetradec-13-en-3-one (CID 56936218) is tetradec-13-en-3-one.
What is the SMILES notation for tetradec-13-en-3-one?
The canonical SMILES for tetradec-13-en-3-one is C=CCCCCCCCCCC(=O)CC.
What is the InChIKey of tetradec-13-en-3-one?
The InChIKey is XTFWXOWQURZTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h3H,1,4-13H2,2H3.
What are the key properties of tetradec-13-en-3-one?
tetradec-13-en-3-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-13-en-3-one is sourced from PubChem (CID 56936218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).