1-(bromomethyl)-1-(ethoxymethyl)cyclopentane

C9H17BrO — CID 65000974

IUPAC1-(bromomethyl)-1-(ethoxymethyl)cyclopentane
SMILESCCOCC1(CBr)CCCC1
InChIInChI=1S/C9H17BrO/c1-2-11-8-9(7-10)5-3-4-6-9/h2-8H2,1H3
InChIKeyKPWJWFLMNKVDIS-UHFFFAOYSA-N
MW221.14 g/mol
LogP2.98
Rot. Bonds4

About 1-(bromomethyl)-1-(ethoxymethyl)cyclopentane

1-(bromomethyl)-1-(ethoxymethyl)cyclopentane (PubChem CID 65000974) has the molecular formula C9H17BrO and a molecular weight of 221.14 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(ethoxymethyl)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(ethoxymethyl)cyclopentane
PubChem CID65000974
Molecular FormulaC9H17BrO
Molecular Weight221.14 g/mol
Exact Mass220.05
IUPAC Name1-(bromomethyl)-1-(ethoxymethyl)cyclopentane
SMILESCCOCC1(CBr)CCCC1
InChIInChI=1S/C9H17BrO/c1-2-11-8-9(7-10)5-3-4-6-9/h2-8H2,1H3
InChIKeyKPWJWFLMNKVDIS-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 52.98
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-(methoxymethyl)cyclopentane
CID 65000973
3-(Bromomethyl)-3-ethyloxane
CID 66042262
1-(Bromomethyl)-3,3-difluoro-1-(methoxymethyl)cyclopentane
CID 177798607
1-(Bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclopentane
CID 65001753
4-(Bromomethyl)-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane
CID 66047621
4-(Bromomethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)hexane
CID 66048525
3-(Bromomethyl)-3-methyl-1-(2,2,2-trifluoroethoxy)hexane
CID 66050660
1-(Bromomethyl)-1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclopentane
CID 66276747
1-(Bromomethyl)-1-(2,2-difluoroethoxymethyl)cyclopentane
CID 82004252
1-(Bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclopentane
CID 82787746
1-(Bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclopentane
CID 82954281
1-(6-Bromohexoxy)-4,4-dimethylpentane
CID 19987564

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(ethoxymethyl)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(ethoxymethyl)cyclopentane (CID 65000974) is 1-(bromomethyl)-1-(ethoxymethyl)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(ethoxymethyl)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(ethoxymethyl)cyclopentane is CCOCC1(CBr)CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(ethoxymethyl)cyclopentane?
The InChIKey is KPWJWFLMNKVDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrO/c1-2-11-8-9(7-10)5-3-4-6-9/h2-8H2,1H3.
What are the key properties of 1-(bromomethyl)-1-(ethoxymethyl)cyclopentane?
1-(bromomethyl)-1-(ethoxymethyl)cyclopentane has a molecular weight of 221.14 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(ethoxymethyl)cyclopentane is sourced from PubChem (CID 65000974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).