1-(bromomethyl)-1-(2-methoxyethylsulfanylmethyl)cyclopentane

C10H19BrOS — CID 65000933

IUPAC1-(bromomethyl)-1-(2-methoxyethylsulfanylmethyl)cyclopentane
SMILESCOCCSCC1(CBr)CCCC1
InChIInChI=1S/C10H19BrOS/c1-12-6-7-13-9-10(8-11)4-2-3-5-10/h2-9H2,1H3
InChIKeyLTCIJMIXVKEABY-UHFFFAOYSA-N
MW267.23 g/mol
LogP3.32
Rot. Bonds6

About 1-(bromomethyl)-1-(2-methoxyethylsulfanylmethyl)cyclopentane

1-(bromomethyl)-1-(2-methoxyethylsulfanylmethyl)cyclopentane (PubChem CID 65000933) has the molecular formula C10H19BrOS and a molecular weight of 267.23 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(2-methoxyethylsulfanylmethyl)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(2-methoxyethylsulfanylmethyl)cyclopentane
PubChem CID65000933
Molecular FormulaC10H19BrOS
Molecular Weight267.23 g/mol
Exact Mass266.03
IUPAC Name1-(bromomethyl)-1-(2-methoxyethylsulfanylmethyl)cyclopentane
SMILESCOCCSCC1(CBr)CCCC1
InChIInChI=1S/C10H19BrOS/c1-12-6-7-13-9-10(8-11)4-2-3-5-10/h2-9H2,1H3
InChIKeyLTCIJMIXVKEABY-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(2-methoxyethylsulfanylmethyl)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(2-methoxyethylsulfanylmethyl)cyclopentane (CID 65000933) is 1-(bromomethyl)-1-(2-methoxyethylsulfanylmethyl)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(2-methoxyethylsulfanylmethyl)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(2-methoxyethylsulfanylmethyl)cyclopentane is COCCSCC1(CBr)CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(2-methoxyethylsulfanylmethyl)cyclopentane?
The InChIKey is LTCIJMIXVKEABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrOS/c1-12-6-7-13-9-10(8-11)4-2-3-5-10/h2-9H2,1H3.
What are the key properties of 1-(bromomethyl)-1-(2-methoxyethylsulfanylmethyl)cyclopentane?
1-(bromomethyl)-1-(2-methoxyethylsulfanylmethyl)cyclopentane has a molecular weight of 267.23 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(2-methoxyethylsulfanylmethyl)cyclopentane is sourced from PubChem (CID 65000933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).