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

C15H27BrO — CID 65002502

IUPAC1-(bromomethyl)-1-[(3-methylcyclohexyl)oxymethyl]cyclohexane
SMILESCC1CCCC(OCC2(CBr)CCCCC2)C1
InChIInChI=1S/C15H27BrO/c1-13-6-5-7-14(10-13)17-12-15(11-16)8-3-2-4-9-15/h13-14H,2-12H2,1H3
InChIKeyOTOLGYKYWOKBAH-UHFFFAOYSA-N
MW303.28 g/mol
LogP4.93
Rot. Bonds4

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

1-(bromomethyl)-1-[(3-methylcyclohexyl)oxymethyl]cyclohexane (PubChem CID 65002502) has the molecular formula C15H27BrO and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-(bromomethyl)-1-[(3-methylcyclohexyl)oxymethyl]cyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-1-[(3-methylcyclohexyl)oxymethyl]cyclohexane
PubChem CID65002502
Molecular FormulaC15H27BrO
Molecular Weight303.28 g/mol
Exact Mass302.12
IUPAC Name1-(bromomethyl)-1-[(3-methylcyclohexyl)oxymethyl]cyclohexane
SMILESCC1CCCC(OCC2(CBr)CCCCC2)C1
InChIInChI=1S/C15H27BrO/c1-13-6-5-7-14(10-13)17-12-15(11-16)8-3-2-4-9-15/h13-14H,2-12H2,1H3
InChIKeyOTOLGYKYWOKBAH-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-1-[(3-methoxycyclohexyl)oxymethyl]cyclohexane
CID 65001851
1-(bromomethyl)-1-[(4-methylcyclohexyl)oxymethyl]cycloheptane
CID 65010154
[1-(bromomethyl)cyclopentyl]methoxycycloheptane
CID 65001141
1-[(3-methylcyclohexyl)oxymethyl]cycloheptan-1-amine
CID 64548755
1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane
CID 65001081
1,1-bis(bromomethyl)cyclopentane
CID 12651156
1-(bromomethyl)-1-(cyclopropylmethoxymethyl)cyclopentane
CID 65001391
1-methyl-3-prop-2-enoxycyclohexane
CID 90739915
1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane
CID 65001029
[1-(3-methylcyclohexyl)oxycyclopentyl]methanamine
CID 62111227
1-(bromomethyl)-1-cyclobutyloxycycloheptane
CID 62381818
1-(bromomethyl)-1-(2-methylpropoxymethyl)cyclohexane
CID 65001890

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-[(3-methylcyclohexyl)oxymethyl]cyclohexane?
The IUPAC name of 1-(bromomethyl)-1-[(3-methylcyclohexyl)oxymethyl]cyclohexane (CID 65002502) is 1-(bromomethyl)-1-[(3-methylcyclohexyl)oxymethyl]cyclohexane.
What is the SMILES notation for 1-(bromomethyl)-1-[(3-methylcyclohexyl)oxymethyl]cyclohexane?
The canonical SMILES for 1-(bromomethyl)-1-[(3-methylcyclohexyl)oxymethyl]cyclohexane is CC1CCCC(OCC2(CBr)CCCCC2)C1.
What is the InChIKey of 1-(bromomethyl)-1-[(3-methylcyclohexyl)oxymethyl]cyclohexane?
The InChIKey is OTOLGYKYWOKBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrO/c1-13-6-5-7-14(10-13)17-12-15(11-16)8-3-2-4-9-15/h13-14H,2-12H2,1H3.
What are the key properties of 1-(bromomethyl)-1-[(3-methylcyclohexyl)oxymethyl]cyclohexane?
1-(bromomethyl)-1-[(3-methylcyclohexyl)oxymethyl]cyclohexane has a molecular weight of 303.28 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-[(3-methylcyclohexyl)oxymethyl]cyclohexane is sourced from PubChem (CID 65002502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).