1-(bromomethyl)-1-[(3-methoxycyclohexyl)oxymethyl]cyclohexane

C15H27BrO2 — CID 65001851

IUPAC1-(bromomethyl)-1-[(3-methoxycyclohexyl)oxymethyl]cyclohexane
SMILESCOC1CCCC(OCC2(CBr)CCCCC2)C1
InChIInChI=1S/C15H27BrO2/c1-17-13-6-5-7-14(10-13)18-12-15(11-16)8-3-2-4-9-15/h13-14H,2-12H2,1H3
InChIKeyWKMZUDCDNLAZPY-UHFFFAOYSA-N
MW319.28 g/mol
LogP4.31
Rot. Bonds5

About 1-(bromomethyl)-1-[(3-methoxycyclohexyl)oxymethyl]cyclohexane

1-(bromomethyl)-1-[(3-methoxycyclohexyl)oxymethyl]cyclohexane (PubChem CID 65001851) has the molecular formula C15H27BrO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is 1-(bromomethyl)-1-[(3-methoxycyclohexyl)oxymethyl]cyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-1-[(3-methoxycyclohexyl)oxymethyl]cyclohexane
PubChem CID65001851
Molecular FormulaC15H27BrO2
Molecular Weight319.28 g/mol
Exact Mass318.12
IUPAC Name1-(bromomethyl)-1-[(3-methoxycyclohexyl)oxymethyl]cyclohexane
SMILESCOC1CCCC(OCC2(CBr)CCCCC2)C1
InChIInChI=1S/C15H27BrO2/c1-17-13-6-5-7-14(10-13)18-12-15(11-16)8-3-2-4-9-15/h13-14H,2-12H2,1H3
InChIKeyWKMZUDCDNLAZPY-UHFFFAOYSA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(bromomethyl)-1-[(3-methylcyclohexyl)oxymethyl]cyclohexane
CID 65002502
[1-(bromomethyl)cyclopentyl]methoxycycloheptane
CID 65001141
1-(bromomethyl)-1-[(4-methylcyclohexyl)oxymethyl]cycloheptane
CID 65010154
2-[1-[(3-methoxycyclohexyl)oxymethyl]cyclopropyl]ethanimidamide
CID 65492162
1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methoxy-2-methylpiperidine
CID 114221477
1-[2-(bromomethyl)butoxy]-3-methoxycyclohexane
CID 65000321
1-[[1-(bromomethyl)cyclohexyl]methyl]-4-methoxypiperidine
CID 65002170
1-(chloromethoxy)-3-methoxycyclohexane
CID 79529091
1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane
CID 65001081
1,1-bis(bromomethyl)cyclopentane
CID 12651156
1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane
CID 65001029
1-(bromomethyl)-1-(methoxymethyl)cyclobutane
CID 65007363

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-[(3-methoxycyclohexyl)oxymethyl]cyclohexane?
The IUPAC name of 1-(bromomethyl)-1-[(3-methoxycyclohexyl)oxymethyl]cyclohexane (CID 65001851) is 1-(bromomethyl)-1-[(3-methoxycyclohexyl)oxymethyl]cyclohexane.
What is the SMILES notation for 1-(bromomethyl)-1-[(3-methoxycyclohexyl)oxymethyl]cyclohexane?
The canonical SMILES for 1-(bromomethyl)-1-[(3-methoxycyclohexyl)oxymethyl]cyclohexane is COC1CCCC(OCC2(CBr)CCCCC2)C1.
What is the InChIKey of 1-(bromomethyl)-1-[(3-methoxycyclohexyl)oxymethyl]cyclohexane?
The InChIKey is WKMZUDCDNLAZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrO2/c1-17-13-6-5-7-14(10-13)18-12-15(11-16)8-3-2-4-9-15/h13-14H,2-12H2,1H3.
What are the key properties of 1-(bromomethyl)-1-[(3-methoxycyclohexyl)oxymethyl]cyclohexane?
1-(bromomethyl)-1-[(3-methoxycyclohexyl)oxymethyl]cyclohexane has a molecular weight of 319.28 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-[(3-methoxycyclohexyl)oxymethyl]cyclohexane is sourced from PubChem (CID 65001851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).