(4E)-cyclopentadec-4-en-1-one

C15H26O — CID 20640370

IUPAC(4E)-cyclopentadec-4-en-1-one
SMILESO=C1CC/C=C/CCCCCCCCCC1
InChIInChI=1S/C15H26O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h7,9H,1-6,8,10-14H2/b9-7+
InChIKeyJIYIHILAGIZIMD-VQHVLOKHSA-N
MW222.37 g/mol
LogP4.81
Rot. Bonds

About (4E)-cyclopentadec-4-en-1-one

(4E)-cyclopentadec-4-en-1-one (PubChem CID 20640370) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (4E)-cyclopentadec-4-en-1-one.

Molecular Properties

Compound Name(4E)-cyclopentadec-4-en-1-one
PubChem CID20640370
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(4E)-cyclopentadec-4-en-1-one
SMILESO=C1CC/C=C/CCCCCCCCCC1
InChIInChI=1S/C15H26O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h7,9H,1-6,8,10-14H2/b9-7+
InChIKeyJIYIHILAGIZIMD-VQHVLOKHSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Nonen-4-one, (2E)-
CID 448996
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
(Z)-9-cycloheptadecen-1-one
CID 11334208
1-Cyclohexenylacetone
CID 13031

Frequently Asked Questions

What is the IUPAC name of (4E)-cyclopentadec-4-en-1-one?
The IUPAC name of (4E)-cyclopentadec-4-en-1-one (CID 20640370) is (4E)-cyclopentadec-4-en-1-one.
What is the SMILES notation for (4E)-cyclopentadec-4-en-1-one?
The canonical SMILES for (4E)-cyclopentadec-4-en-1-one is O=C1CC/C=C/CCCCCCCCCC1.
What is the InChIKey of (4E)-cyclopentadec-4-en-1-one?
The InChIKey is JIYIHILAGIZIMD-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H26O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h7,9H,1-6,8,10-14H2/b9-7+.
What are the key properties of (4E)-cyclopentadec-4-en-1-one?
(4E)-cyclopentadec-4-en-1-one has a molecular weight of 222.37 g/mol, XLogP of 4.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-cyclopentadec-4-en-1-one is sourced from PubChem (CID 20640370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).