(E)-15-(oxan-2-yloxy)pentadec-3-en-5-one

C20H36O3 — CID 13439915

IUPAC(E)-15-(oxan-2-yloxy)pentadec-3-en-5-one
SMILESCC/C=C/C(=O)CCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C20H36O3/c1-2-3-14-19(21)15-10-8-6-4-5-7-9-12-17-22-20-16-11-13-18-23-20/h3,14,20H,2,4-13,15-18H2,1H3/b14-3+
InChIKeySMWQVONGROLANO-LZWSPWQCSA-N
MW324.50 g/mol
LogP5.58
Rot. Bonds14

About (E)-15-(oxan-2-yloxy)pentadec-3-en-5-one

(E)-15-(oxan-2-yloxy)pentadec-3-en-5-one (PubChem CID 13439915) has the molecular formula C20H36O3 and a molecular weight of 324.50 g/mol. Its IUPAC name is (E)-15-(oxan-2-yloxy)pentadec-3-en-5-one.

Molecular Properties

Compound Name(E)-15-(oxan-2-yloxy)pentadec-3-en-5-one
PubChem CID13439915
Molecular FormulaC20H36O3
Molecular Weight324.50 g/mol
Exact Mass324.27
IUPAC Name(E)-15-(oxan-2-yloxy)pentadec-3-en-5-one
SMILESCC/C=C/C(=O)CCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C20H36O3/c1-2-3-14-19(21)15-10-8-6-4-5-7-9-12-17-22-20-16-11-13-18-23-20/h3,14,20H,2,4-13,15-18H2,1H3/b14-3+
InChIKeySMWQVONGROLANO-LZWSPWQCSA-N
XLogP5.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.50
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-15-(oxan-2-yloxy)pentadec-3-en-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(Oxan-2-yloxy)butyl]cyclohex-2-en-1-one
CID 135025098
(2Z,4E)-1-(oxan-2-yloxy)tetradeca-2,4-dien-6-one
CID 13939104
ethyl (E)-10-(oxan-2-yloxy)undec-7-enoate
CID 134905044
Tetrahydropyran-2-yl Z,Z-8,10-dodecadienoate
CID 5367913
Tetrahydropyran Z-10-dodecenoate
CID 5367971
(E)-2-(oxan-2-yloxy)dodec-9-en-6-one
CID 10016645
3-[4-(Oxan-2-yloxy)pentyl]cyclohex-2-en-1-one
CID 10730486
3-[6-(Oxan-2-yloxy)hexyl]cyclohex-2-en-1-one
CID 10779149
(E)-17-(oxan-2-yloxy)heptadec-9-en-11,13-diyn-8-one
CID 11382353
methyl (Z)-18-(oxan-2-yloxy)octadec-9-enoate
CID 11502142
(12E,15E)-1,1-diethoxyhenicosa-12,15-dien-3-one
CID 13192747
(Z,3S)-3-(oxan-2-yloxy)icos-11-enal
CID 13817948

Frequently Asked Questions

What is the IUPAC name of (E)-15-(oxan-2-yloxy)pentadec-3-en-5-one?
The IUPAC name of (E)-15-(oxan-2-yloxy)pentadec-3-en-5-one (CID 13439915) is (E)-15-(oxan-2-yloxy)pentadec-3-en-5-one.
What is the SMILES notation for (E)-15-(oxan-2-yloxy)pentadec-3-en-5-one?
The canonical SMILES for (E)-15-(oxan-2-yloxy)pentadec-3-en-5-one is CC/C=C/C(=O)CCCCCCCCCCOC1CCCCO1.
What is the InChIKey of (E)-15-(oxan-2-yloxy)pentadec-3-en-5-one?
The InChIKey is SMWQVONGROLANO-LZWSPWQCSA-N. The full InChI is InChI=1S/C20H36O3/c1-2-3-14-19(21)15-10-8-6-4-5-7-9-12-17-22-20-16-11-13-18-23-20/h3,14,20H,2,4-13,15-18H2,1H3/b14-3+.
What are the key properties of (E)-15-(oxan-2-yloxy)pentadec-3-en-5-one?
(E)-15-(oxan-2-yloxy)pentadec-3-en-5-one has a molecular weight of 324.50 g/mol, XLogP of 5.58, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-15-(oxan-2-yloxy)pentadec-3-en-5-one is sourced from PubChem (CID 13439915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).