2-methylheptan-2-ylperoxycyclohexane

C14H28O2 — CID 88843524

IUPAC2-methylheptan-2-ylperoxycyclohexane
SMILESCCCCCC(C)(C)OOC1CCCCC1
InChIInChI=1S/C14H28O2/c1-4-5-9-12-14(2,3)16-15-13-10-7-6-8-11-13/h13H,4-12H2,1-3H3
InChIKeyHDAFETYJNISNOS-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.63
Rot. Bonds7

About 2-methylheptan-2-ylperoxycyclohexane

2-methylheptan-2-ylperoxycyclohexane (PubChem CID 88843524) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-methylheptan-2-ylperoxycyclohexane.

Molecular Properties

Compound Name2-methylheptan-2-ylperoxycyclohexane
PubChem CID88843524
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-methylheptan-2-ylperoxycyclohexane
SMILESCCCCCC(C)(C)OOC1CCCCC1
InChIInChI=1S/C14H28O2/c1-4-5-9-12-14(2,3)16-15-13-10-7-6-8-11-13/h13H,4-12H2,1-3H3
InChIKeyHDAFETYJNISNOS-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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': '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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Frequently Asked Questions

What is the IUPAC name of 2-methylheptan-2-ylperoxycyclohexane?
The IUPAC name of 2-methylheptan-2-ylperoxycyclohexane (CID 88843524) is 2-methylheptan-2-ylperoxycyclohexane.
What is the SMILES notation for 2-methylheptan-2-ylperoxycyclohexane?
The canonical SMILES for 2-methylheptan-2-ylperoxycyclohexane is CCCCCC(C)(C)OOC1CCCCC1.
What is the InChIKey of 2-methylheptan-2-ylperoxycyclohexane?
The InChIKey is HDAFETYJNISNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-5-9-12-14(2,3)16-15-13-10-7-6-8-11-13/h13H,4-12H2,1-3H3.
What are the key properties of 2-methylheptan-2-ylperoxycyclohexane?
2-methylheptan-2-ylperoxycyclohexane has a molecular weight of 228.38 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylheptan-2-ylperoxycyclohexane is sourced from PubChem (CID 88843524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).