1-(bromomethyl)-1-(cyclopropylmethoxymethyl)cyclopentane

C11H19BrO — CID 65001391

IUPAC1-(bromomethyl)-1-(cyclopropylmethoxymethyl)cyclopentane
SMILESBrCC1(COCC2CC2)CCCC1
InChIInChI=1S/C11H19BrO/c12-8-11(5-1-2-6-11)9-13-7-10-3-4-10/h10H,1-9H2
InChIKeyRCIBZQKTPXCCPF-UHFFFAOYSA-N
MW247.18 g/mol
LogP3.37
Rot. Bonds5

About 1-(bromomethyl)-1-(cyclopropylmethoxymethyl)cyclopentane

1-(bromomethyl)-1-(cyclopropylmethoxymethyl)cyclopentane (PubChem CID 65001391) has the molecular formula C11H19BrO and a molecular weight of 247.18 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(cyclopropylmethoxymethyl)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(cyclopropylmethoxymethyl)cyclopentane
PubChem CID65001391
Molecular FormulaC11H19BrO
Molecular Weight247.18 g/mol
Exact Mass246.06
IUPAC Name1-(bromomethyl)-1-(cyclopropylmethoxymethyl)cyclopentane
SMILESBrCC1(COCC2CC2)CCCC1
InChIInChI=1S/C11H19BrO/c12-8-11(5-1-2-6-11)9-13-7-10-3-4-10/h10H,1-9H2
InChIKeyRCIBZQKTPXCCPF-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 53.37
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-(2-cyclopropylethoxymethyl)cyclohexane
CID 106201182
N-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]cyclopropanamine
CID 106930741
N-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]ethanamine
CID 106930738
2-[[1-(bromomethyl)cyclobutyl]methoxymethyl]oxolane
CID 65007578
N-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]propan-1-amine
CID 106930739
[1-(bromomethyl)cyclopentyl]methoxycycloheptane
CID 65001141
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclopentane
CID 65001082
[1-(cyclohexylmethoxymethyl)cycloheptyl]methanesulfonamide
CID 65009994
1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane
CID 65001789
1-(bromomethyl)-1-(2-methylpropoxymethyl)cyclohexane
CID 65001890
1,1-bis(bromomethyl)cyclopentane
CID 12651156
1-(bromomethyl)-1-(3,3-dimethylbutoxymethyl)cyclohexane
CID 66234060

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(cyclopropylmethoxymethyl)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(cyclopropylmethoxymethyl)cyclopentane (CID 65001391) is 1-(bromomethyl)-1-(cyclopropylmethoxymethyl)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(cyclopropylmethoxymethyl)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(cyclopropylmethoxymethyl)cyclopentane is BrCC1(COCC2CC2)CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(cyclopropylmethoxymethyl)cyclopentane?
The InChIKey is RCIBZQKTPXCCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrO/c12-8-11(5-1-2-6-11)9-13-7-10-3-4-10/h10H,1-9H2.
What are the key properties of 1-(bromomethyl)-1-(cyclopropylmethoxymethyl)cyclopentane?
1-(bromomethyl)-1-(cyclopropylmethoxymethyl)cyclopentane has a molecular weight of 247.18 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(cyclopropylmethoxymethyl)cyclopentane is sourced from PubChem (CID 65001391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).