tetradec-1-en-3-one

C14H26O — CID 10013364

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

About tetradec-1-en-3-one

tetradec-1-en-3-one (PubChem CID 10013364) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is tetradec-1-en-3-one.

Molecular Properties

Compound Nametetradec-1-en-3-one
PubChem CID10013364
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Nametetradec-1-en-3-one
SMILESC=CC(=O)CCCCCCCCCCC
InChIInChI=1S/C14H26O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h4H,2-3,5-13H2,1H3
InChIKeyMNIGRDBXCHCIHR-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetradec-1-en-3-one?
The IUPAC name of tetradec-1-en-3-one (CID 10013364) is tetradec-1-en-3-one.
What is the SMILES notation for tetradec-1-en-3-one?
The canonical SMILES for tetradec-1-en-3-one is C=CC(=O)CCCCCCCCCCC.
What is the InChIKey of tetradec-1-en-3-one?
The InChIKey is MNIGRDBXCHCIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h4H,2-3,5-13H2,1H3.
What are the key properties of tetradec-1-en-3-one?
tetradec-1-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-1-en-3-one is sourced from PubChem (CID 10013364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).