1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane

C14H25BrO — CID 65001081

IUPAC1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane
SMILESCC1CCCCC1OCC1(CBr)CCCC1
InChIInChI=1S/C14H25BrO/c1-12-6-2-3-7-13(12)16-11-14(10-15)8-4-5-9-14/h12-13H,2-11H2,1H3
InChIKeyHHQJHFGPFYBFCW-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.54
Rot. Bonds4

About 1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane

1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane (PubChem CID 65001081) has the molecular formula C14H25BrO and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane
PubChem CID65001081
Molecular FormulaC14H25BrO
Molecular Weight289.26 g/mol
Exact Mass288.11
IUPAC Name1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane
SMILESCC1CCCCC1OCC1(CBr)CCCC1
InChIInChI=1S/C14H25BrO/c1-12-6-2-3-7-13(12)16-11-14(10-15)8-4-5-9-14/h12-13H,2-11H2,1H3
InChIKeyHHQJHFGPFYBFCW-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.54
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

4-(bromomethyl)-4-[(2-methylcyclohexyl)oxymethyl]oxane
CID 65004580
1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane
CID 65001029
[1-(bromomethyl)cyclopentyl]methoxycycloheptane
CID 65001141
1-(bromomethyl)-1-[(4-methylcyclohexyl)oxymethyl]cycloheptane
CID 65010154
1-(bromomethyl)-1-[(3-methylcyclohexyl)oxymethyl]cyclohexane
CID 65002502
1,1-bis(bromomethyl)cyclopentane
CID 12651156
1-(bromomethyl)-1-[(3-methoxycyclohexyl)oxymethyl]cyclohexane
CID 65001851
1-(bromomethyl)-1-(cyclopropylmethoxymethyl)cyclopentane
CID 65001391
1-[[1-(bromomethyl)cyclopentyl]methyl]-3-methoxy-4-methylpiperidine
CID 102964345
1-(bromomethyl)-1-(methoxymethyl)cyclobutane
CID 65007363
1-(bromomethyl)-1-(2-methylpropoxymethyl)cyclohexane
CID 65001890
1,1-bis(bromomethyl)cyclobutane
CID 12651155

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane?
The IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane (CID 65001081) is 1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane is CC1CCCCC1OCC1(CBr)CCCC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane?
The InChIKey is HHQJHFGPFYBFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrO/c1-12-6-2-3-7-13(12)16-11-14(10-15)8-4-5-9-14/h12-13H,2-11H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane?
1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane has a molecular weight of 289.26 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane is sourced from PubChem (CID 65001081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).