1-butylperoxybutane;cyclooctane

C16H34O2 — CID 140991302

IUPAC1-butylperoxybutane;cyclooctane
SMILESC1CCCCCCC1.CCCCOOCCCC
InChIInChI=1S/C8H18O2.C8H16/c1-3-5-7-9-10-8-6-4-2;1-2-4-6-8-7-5-3-1/h3-8H2,1-2H3;1-8H2
InChIKeyVPQRLTVHQAUHEW-UHFFFAOYSA-N
MW258.45 g/mol
LogP5.66
Rot. Bonds7

About 1-butylperoxybutane;cyclooctane

1-butylperoxybutane;cyclooctane (PubChem CID 140991302) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1-butylperoxybutane;cyclooctane.

Molecular Properties

Compound Name1-butylperoxybutane;cyclooctane
PubChem CID140991302
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name1-butylperoxybutane;cyclooctane
SMILESC1CCCCCCC1.CCCCOOCCCC
InChIInChI=1S/C8H18O2.C8H16/c1-3-5-7-9-10-8-6-4-2;1-2-4-6-8-7-5-3-1/h3-8H2,1-2H3;1-8H2
InChIKeyVPQRLTVHQAUHEW-UHFFFAOYSA-N
XLogP5.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tributoxy(octyl)stannane
CID 19840043
Dibutoxy(dioctyl)stannane
CID 22117090
CID 149923278
CID 149923278
CID 158307239
CID 158307239
Tris(butan-1-olate);octyltin(3+)
CID 173491741
Bis(butan-1-olate);dioctyltin(2+)
CID 175693533

Frequently Asked Questions

What is the IUPAC name of 1-butylperoxybutane;cyclooctane?
The IUPAC name of 1-butylperoxybutane;cyclooctane (CID 140991302) is 1-butylperoxybutane;cyclooctane.
What is the SMILES notation for 1-butylperoxybutane;cyclooctane?
The canonical SMILES for 1-butylperoxybutane;cyclooctane is C1CCCCCCC1.CCCCOOCCCC.
What is the InChIKey of 1-butylperoxybutane;cyclooctane?
The InChIKey is VPQRLTVHQAUHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2.C8H16/c1-3-5-7-9-10-8-6-4-2;1-2-4-6-8-7-5-3-1/h3-8H2,1-2H3;1-8H2.
What are the key properties of 1-butylperoxybutane;cyclooctane?
1-butylperoxybutane;cyclooctane has a molecular weight of 258.45 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylperoxybutane;cyclooctane is sourced from PubChem (CID 140991302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).