butylperoxymethylcyclohexane

C11H22O2 — CID 139855093

IUPACbutylperoxymethylcyclohexane
SMILESCCCCOOCC1CCCCC1
InChIInChI=1S/C11H22O2/c1-2-3-9-12-13-10-11-7-5-4-6-8-11/h11H,2-10H2,1H3
InChIKeyJCPSISCLYOKHHV-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.32
Rot. Bonds6

About butylperoxymethylcyclohexane

butylperoxymethylcyclohexane (PubChem CID 139855093) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is butylperoxymethylcyclohexane.

Molecular Properties

Compound Namebutylperoxymethylcyclohexane
PubChem CID139855093
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Namebutylperoxymethylcyclohexane
SMILESCCCCOOCC1CCCCC1
InChIInChI=1S/C11H22O2/c1-2-3-9-12-13-10-11-7-5-4-6-8-11/h11H,2-10H2,1H3
InChIKeyJCPSISCLYOKHHV-UHFFFAOYSA-N
XLogP3.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.32
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

1-butylperoxybutane;cyclooctane
CID 140991302
1-(cyclohexylmethoxy)-4-pentoxybenzene
CID 90350366
1-butylperoxybutane
CID 159275797
butylperoxycyclobutane
CID 151578639
cis-1-O-butyl 2-O-(cyclohexylmethyl) (1R,2S)-cyclohexane-1,2-dicarboxylate
CID 124680446
cis-1-O-butyl 2-O-(cyclohexylmethyl) (1S,2R)-cyclohexane-1,2-dicarboxylate
CID 124680449
butylperoxycyclopropane
CID 154255203
1-butylperoxybutane;hydrate
CID 158567350
butyl 3-(cyclohexylmethoxy)propanoate
CID 129141533
1-(cycloheptyloxymethyl)-4-dodecoxycycloheptane
CID 91616970
3-ethylheptoxymethylcyclohexane
CID 146361010
ethoxymethylcyclooctane
CID 70370569

Frequently Asked Questions

What is the IUPAC name of butylperoxymethylcyclohexane?
The IUPAC name of butylperoxymethylcyclohexane (CID 139855093) is butylperoxymethylcyclohexane.
What is the SMILES notation for butylperoxymethylcyclohexane?
The canonical SMILES for butylperoxymethylcyclohexane is CCCCOOCC1CCCCC1.
What is the InChIKey of butylperoxymethylcyclohexane?
The InChIKey is JCPSISCLYOKHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-2-3-9-12-13-10-11-7-5-4-6-8-11/h11H,2-10H2,1H3.
What are the key properties of butylperoxymethylcyclohexane?
butylperoxymethylcyclohexane has a molecular weight of 186.29 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butylperoxymethylcyclohexane is sourced from PubChem (CID 139855093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).