1-(bromomethyl)-1-(3-cyclopropylpropoxy)cyclopentane

C12H21BrO — CID 165489609

IUPAC1-(bromomethyl)-1-(3-cyclopropylpropoxy)cyclopentane
SMILESBrCC1(OCCCC2CC2)CCCC1
InChIInChI=1S/C12H21BrO/c13-10-12(7-1-2-8-12)14-9-3-4-11-5-6-11/h11H,1-10H2
InChIKeyLIRRRGRWTTXOKF-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.90
Rot. Bonds6

About 1-(bromomethyl)-1-(3-cyclopropylpropoxy)cyclopentane

1-(bromomethyl)-1-(3-cyclopropylpropoxy)cyclopentane (PubChem CID 165489609) has the molecular formula C12H21BrO and a molecular weight of 261.20 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(3-cyclopropylpropoxy)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(3-cyclopropylpropoxy)cyclopentane
PubChem CID165489609
Molecular FormulaC12H21BrO
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name1-(bromomethyl)-1-(3-cyclopropylpropoxy)cyclopentane
SMILESBrCC1(OCCCC2CC2)CCCC1
InChIInChI=1S/C12H21BrO/c13-10-12(7-1-2-8-12)14-9-3-4-11-5-6-11/h11H,1-10H2
InChIKeyLIRRRGRWTTXOKF-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane
CID 106204781
1-(bromomethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentane
CID 112589326
1-(bromomethyl)-1-(2-butoxyethoxy)-4-propylcyclohexane
CID 63476016
1-(bromomethyl)-1-butoxy-4-tert-butylcyclohexane
CID 63468622
1-(bromomethyl)-4-ethyl-1-heptoxycyclohexane
CID 63475655
1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane
CID 62112037
4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane
CID 62382188
N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine
CID 106204875
1-(bromomethyl)-1-(2,2-difluoropropoxy)cyclopentane
CID 165493036
3-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxolane
CID 62108159
1-(bromomethyl)-1-(2-cyclopropylethoxymethyl)cyclohexane
CID 106201182
1-(bromomethyl)-1-cyclopropyloxycycloheptane
CID 165489771

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(3-cyclopropylpropoxy)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(3-cyclopropylpropoxy)cyclopentane (CID 165489609) is 1-(bromomethyl)-1-(3-cyclopropylpropoxy)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(3-cyclopropylpropoxy)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(3-cyclopropylpropoxy)cyclopentane is BrCC1(OCCCC2CC2)CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(3-cyclopropylpropoxy)cyclopentane?
The InChIKey is LIRRRGRWTTXOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrO/c13-10-12(7-1-2-8-12)14-9-3-4-11-5-6-11/h11H,1-10H2.
What are the key properties of 1-(bromomethyl)-1-(3-cyclopropylpropoxy)cyclopentane?
1-(bromomethyl)-1-(3-cyclopropylpropoxy)cyclopentane has a molecular weight of 261.20 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(3-cyclopropylpropoxy)cyclopentane is sourced from PubChem (CID 165489609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).