(1-butylcyclohexyl)oxymethyl hypobromite

C11H21BrO2 — CID 134895111

IUPAC(1-butylcyclohexyl)oxymethyl hypobromite
SMILESCCCCC1(OCOBr)CCCCC1
InChIInChI=1S/C11H21BrO2/c1-2-3-7-11(13-10-14-12)8-5-4-6-9-11/h2-10H2,1H3
InChIKeyRJZHPKLCDUPFSF-UHFFFAOYSA-N
MW265.19 g/mol
LogP4.18
Rot. Bonds6

About (1-butylcyclohexyl)oxymethyl hypobromite

(1-butylcyclohexyl)oxymethyl hypobromite (PubChem CID 134895111) has the molecular formula C11H21BrO2 and a molecular weight of 265.19 g/mol. Its IUPAC name is (1-butylcyclohexyl)oxymethyl hypobromite.

Molecular Properties

Compound Name(1-butylcyclohexyl)oxymethyl hypobromite
PubChem CID134895111
Molecular FormulaC11H21BrO2
Molecular Weight265.19 g/mol
Exact Mass264.07
IUPAC Name(1-butylcyclohexyl)oxymethyl hypobromite
SMILESCCCCC1(OCOBr)CCCCC1
InChIInChI=1S/C11H21BrO2/c1-2-3-7-11(13-10-14-12)8-5-4-6-9-11/h2-10H2,1H3
InChIKeyRJZHPKLCDUPFSF-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-butyl-1-hydroperoxycyclohexane
CID 18362273
1-butyl-1-(2-methoxyethoxymethoxy)cyclohexane
CID 13180892
2-(1-butylcyclohexyl)oxyethanol
CID 141443890
1-ethoxy-1-propylcyclohexane
CID 154221474
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
1-heptoxy-1-(iodomethyl)cycloheptane
CID 114773223
(1-butylcyclopentyl)oxy-fluorophosphinic acid
CID 150124929
bis(1-pentylcyclohexyl) butanedioate
CID 174843513
1-butylcyclohexan-1-amine
CID 13182498
(1-pentylcyclohexyl) butanoate
CID 101311537
2-(1-butoxycyclobutyl)-N-ethylethanamine
CID 103273334
trimethyl-(1-nonylcyclopropyl)oxysilane
CID 10923164

Frequently Asked Questions

What is the IUPAC name of (1-butylcyclohexyl)oxymethyl hypobromite?
The IUPAC name of (1-butylcyclohexyl)oxymethyl hypobromite (CID 134895111) is (1-butylcyclohexyl)oxymethyl hypobromite.
What is the SMILES notation for (1-butylcyclohexyl)oxymethyl hypobromite?
The canonical SMILES for (1-butylcyclohexyl)oxymethyl hypobromite is CCCCC1(OCOBr)CCCCC1.
What is the InChIKey of (1-butylcyclohexyl)oxymethyl hypobromite?
The InChIKey is RJZHPKLCDUPFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO2/c1-2-3-7-11(13-10-14-12)8-5-4-6-9-11/h2-10H2,1H3.
What are the key properties of (1-butylcyclohexyl)oxymethyl hypobromite?
(1-butylcyclohexyl)oxymethyl hypobromite has a molecular weight of 265.19 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylcyclohexyl)oxymethyl hypobromite is sourced from PubChem (CID 134895111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).