[1-(bromomethyl)cyclopentyl]methoxycycloheptane

C14H25BrO — CID 65001141

IUPAC[1-(bromomethyl)cyclopentyl]methoxycycloheptane
SMILESBrCC1(COC2CCCCCC2)CCCC1
InChIInChI=1S/C14H25BrO/c15-11-14(9-5-6-10-14)12-16-13-7-3-1-2-4-8-13/h13H,1-12H2
InChIKeyOMFWNMDJKBOHHF-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.68
Rot. Bonds4

About [1-(bromomethyl)cyclopentyl]methoxycycloheptane

[1-(bromomethyl)cyclopentyl]methoxycycloheptane (PubChem CID 65001141) has the molecular formula C14H25BrO and a molecular weight of 289.26 g/mol. Its IUPAC name is [1-(bromomethyl)cyclopentyl]methoxycycloheptane.

Molecular Properties

Compound Name[1-(bromomethyl)cyclopentyl]methoxycycloheptane
PubChem CID65001141
Molecular FormulaC14H25BrO
Molecular Weight289.26 g/mol
Exact Mass288.11
IUPAC Name[1-(bromomethyl)cyclopentyl]methoxycycloheptane
SMILESBrCC1(COC2CCCCCC2)CCCC1
InChIInChI=1S/C14H25BrO/c15-11-14(9-5-6-10-14)12-16-13-7-3-1-2-4-8-13/h13H,1-12H2
InChIKeyOMFWNMDJKBOHHF-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
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-[(4-methylcyclohexyl)oxymethyl]cycloheptane
CID 65010154
1-(bromomethyl)-1-[(3-methylcyclohexyl)oxymethyl]cyclohexane
CID 65002502
1-(bromomethyl)-1-[(3-methoxycyclohexyl)oxymethyl]cyclohexane
CID 65001851
1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-methylcyclohexane
CID 65001081
[1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide
CID 65010094
1,1-bis(bromomethyl)cyclopentane
CID 12651156
1-[[1-(bromomethyl)cyclopentyl]methoxy]-2-ethylcyclohexane
CID 65001029
1-(cyclohexyloxymethyl)cycloheptan-1-amine
CID 64548745
1-(bromomethyl)-1-(2-cyclopropylethoxymethyl)cyclohexane
CID 106201182
1-(bromomethyl)-1-(cyclopropylmethoxymethyl)cyclopentane
CID 65001391
[1-(cyclopropyloxymethyl)cyclohexyl]methanesulfonyl chloride
CID 165499057
[1-(cyclobutyloxymethyl)cyclopentyl]methanesulfonamide
CID 65003105

Frequently Asked Questions

What is the IUPAC name of [1-(bromomethyl)cyclopentyl]methoxycycloheptane?
The IUPAC name of [1-(bromomethyl)cyclopentyl]methoxycycloheptane (CID 65001141) is [1-(bromomethyl)cyclopentyl]methoxycycloheptane.
What is the SMILES notation for [1-(bromomethyl)cyclopentyl]methoxycycloheptane?
The canonical SMILES for [1-(bromomethyl)cyclopentyl]methoxycycloheptane is BrCC1(COC2CCCCCC2)CCCC1.
What is the InChIKey of [1-(bromomethyl)cyclopentyl]methoxycycloheptane?
The InChIKey is OMFWNMDJKBOHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrO/c15-11-14(9-5-6-10-14)12-16-13-7-3-1-2-4-8-13/h13H,1-12H2.
What are the key properties of [1-(bromomethyl)cyclopentyl]methoxycycloheptane?
[1-(bromomethyl)cyclopentyl]methoxycycloheptane has a molecular weight of 289.26 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(bromomethyl)cyclopentyl]methoxycycloheptane is sourced from PubChem (CID 65001141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).