octan-4-ylperoxycyclohexane

C14H28O2 — CID 175376099

IUPACoctan-4-ylperoxycyclohexane
SMILESCCCCC(CCC)OOC1CCCCC1
InChIInChI=1S/C14H28O2/c1-3-5-10-13(9-4-2)15-16-14-11-7-6-8-12-14/h13-14H,3-12H2,1-2H3
InChIKeyMXQVEACAAWYTOR-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.63
Rot. Bonds8

About octan-4-ylperoxycyclohexane

octan-4-ylperoxycyclohexane (PubChem CID 175376099) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is octan-4-ylperoxycyclohexane.

Molecular Properties

Compound Nameoctan-4-ylperoxycyclohexane
PubChem CID175376099
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Nameoctan-4-ylperoxycyclohexane
SMILESCCCCC(CCC)OOC1CCCCC1
InChIInChI=1S/C14H28O2/c1-3-5-10-13(9-4-2)15-16-14-11-7-6-8-12-14/h13-14H,3-12H2,1-2H3
InChIKeyMXQVEACAAWYTOR-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tributyl(cyclohexyloxy)phosphanium
CID 23415292
cyclohexyl-dimethyl-tetradecan-4-yloxysilane
CID 554902
di(octan-4-yloxy)iodanium
CID 175807144
4-hexadecan-5-yloxyhexadecane
CID 57069400
4-(trioxidanyl)undecane
CID 140639892
undecan-5-ylcyclohexane
CID 524419
9-cyclohexyloxyoctadecanoic acid
CID 22371636
1-O-decyl 2-O-octan-4-yl cyclohexane-1,2-dicarboxylate
CID 91722363
1-O-nonyl 2-O-octan-4-yl cyclohexane-1,2-dicarboxylate
CID 91722358
cyclohexyl carbonate;tetrabutylphosphanium
CID 66627330
4-icosan-4-yloxyicosane
CID 87313284
heptane;methoxycyclopentane
CID 131735357

Frequently Asked Questions

What is the IUPAC name of octan-4-ylperoxycyclohexane?
The IUPAC name of octan-4-ylperoxycyclohexane (CID 175376099) is octan-4-ylperoxycyclohexane.
What is the SMILES notation for octan-4-ylperoxycyclohexane?
The canonical SMILES for octan-4-ylperoxycyclohexane is CCCCC(CCC)OOC1CCCCC1.
What is the InChIKey of octan-4-ylperoxycyclohexane?
The InChIKey is MXQVEACAAWYTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-3-5-10-13(9-4-2)15-16-14-11-7-6-8-12-14/h13-14H,3-12H2,1-2H3.
What are the key properties of octan-4-ylperoxycyclohexane?
octan-4-ylperoxycyclohexane has a molecular weight of 228.38 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octan-4-ylperoxycyclohexane is sourced from PubChem (CID 175376099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).