4-oct-1-en-4-ylperoxyoct-1-ene

C16H30O2 — CID 87401104

IUPAC4-oct-1-en-4-ylperoxyoct-1-ene
SMILESC=CCC(CCCC)OOC(CC=C)CCCC
InChIInChI=1S/C16H30O2/c1-5-9-13-15(11-7-3)17-18-16(12-8-4)14-10-6-2/h7-8,15-16H,3-6,9-14H2,1-2H3
InChIKeyKTFDIHBMHLAURD-UHFFFAOYSA-N
MW254.41 g/mol
LogP5.20
Rot. Bonds13

About 4-oct-1-en-4-ylperoxyoct-1-ene

4-oct-1-en-4-ylperoxyoct-1-ene (PubChem CID 87401104) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 4-oct-1-en-4-ylperoxyoct-1-ene.

Molecular Properties

Compound Name4-oct-1-en-4-ylperoxyoct-1-ene
PubChem CID87401104
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name4-oct-1-en-4-ylperoxyoct-1-ene
SMILESC=CCC(CCCC)OOC(CC=C)CCCC
InChIInChI=1S/C16H30O2/c1-5-9-13-15(11-7-3)17-18-16(12-8-4)14-10-6-2/h7-8,15-16H,3-6,9-14H2,1-2H3
InChIKeyKTFDIHBMHLAURD-UHFFFAOYSA-N
XLogP5.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 4-oct-1-en-4-ylperoxyoct-1-ene 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

oct-1-en-4-yl formate
CID 87501677
4-methoxynon-1-ene
CID 13284925
oct-1-en-4-yloxymethanedithioic acid
CID 88696444
4-ethenoxyundec-1-ene
CID 101420327
4-(methoxymethoxy)non-1-ene
CID 14592865
(4R)-4-(methoxymethoxy)undec-1-ene
CID 102130866
2-butyl-4-trimethylsilyloxyhept-6-enal
CID 57299910
trimethyl-[(1R)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane
CID 10827976
non-1-en-4-yl propanoate
CID 139804434
(4S)-4-ethyloct-1-ene
CID 129373406
5-ethyl-4-methylnon-1-ene
CID 22027489
[oct-1-en-4-yloxy(diphenyl)methyl]benzene
CID 70568043

Frequently Asked Questions

What is the IUPAC name of 4-oct-1-en-4-ylperoxyoct-1-ene?
The IUPAC name of 4-oct-1-en-4-ylperoxyoct-1-ene (CID 87401104) is 4-oct-1-en-4-ylperoxyoct-1-ene.
What is the SMILES notation for 4-oct-1-en-4-ylperoxyoct-1-ene?
The canonical SMILES for 4-oct-1-en-4-ylperoxyoct-1-ene is C=CCC(CCCC)OOC(CC=C)CCCC.
What is the InChIKey of 4-oct-1-en-4-ylperoxyoct-1-ene?
The InChIKey is KTFDIHBMHLAURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-5-9-13-15(11-7-3)17-18-16(12-8-4)14-10-6-2/h7-8,15-16H,3-6,9-14H2,1-2H3.
What are the key properties of 4-oct-1-en-4-ylperoxyoct-1-ene?
4-oct-1-en-4-ylperoxyoct-1-ene has a molecular weight of 254.41 g/mol, XLogP of 5.20, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oct-1-en-4-ylperoxyoct-1-ene is sourced from PubChem (CID 87401104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).