(2-bromo-1-cyclobutylethyl)cyclobutane

C10H17Br — CID 130530719

IUPAC(2-bromo-1-cyclobutylethyl)cyclobutane
SMILESBrCC(C1CCC1)C1CCC1
InChIInChI=1S/C10H17Br/c11-7-10(8-3-1-4-8)9-5-2-6-9/h8-10H,1-7H2
InChIKeyDSGMGQDKGJGGRI-UHFFFAOYSA-N
MW217.15 g/mol
LogP3.60
Rot. Bonds3

About (2-bromo-1-cyclobutylethyl)cyclobutane

(2-bromo-1-cyclobutylethyl)cyclobutane (PubChem CID 130530719) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is (2-bromo-1-cyclobutylethyl)cyclobutane.

Molecular Properties

Compound Name(2-bromo-1-cyclobutylethyl)cyclobutane
PubChem CID130530719
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name(2-bromo-1-cyclobutylethyl)cyclobutane
SMILESBrCC(C1CCC1)C1CCC1
InChIInChI=1S/C10H17Br/c11-7-10(8-3-1-4-8)9-5-2-6-9/h8-10H,1-7H2
InChIKeyDSGMGQDKGJGGRI-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-bromo-1-cyclobutylethanol
CID 129416122
[2-(2-bromo-1-cyclopentylethyl)cyclopropyl]benzene
CID 116518573
2,2-dicyclopropylethylcyclobutane
CID 57317303
(1-cyclohexyl-2-fluoroethyl)cyclohexane
CID 162165643
1,2-dicyclohexylethylcyclohexane
CID 158413043
(2-bromo-1-methoxyethyl)cyclopentane
CID 122164136
[(2R)-1-bromobut-3-en-2-yl]cyclohexane
CID 102075703
3-bromo-2-cyclohexylpropanal
CID 174462116
di(cyclohexadecyl)methylcyclohexadecane
CID 175406938
dicyclopropylmethylcyclopentane
CID 56984657
1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene
CID 82946371
1,3-dibromopropylcyclopentane
CID 119055057

Frequently Asked Questions

What is the IUPAC name of (2-bromo-1-cyclobutylethyl)cyclobutane?
The IUPAC name of (2-bromo-1-cyclobutylethyl)cyclobutane (CID 130530719) is (2-bromo-1-cyclobutylethyl)cyclobutane.
What is the SMILES notation for (2-bromo-1-cyclobutylethyl)cyclobutane?
The canonical SMILES for (2-bromo-1-cyclobutylethyl)cyclobutane is BrCC(C1CCC1)C1CCC1.
What is the InChIKey of (2-bromo-1-cyclobutylethyl)cyclobutane?
The InChIKey is DSGMGQDKGJGGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br/c11-7-10(8-3-1-4-8)9-5-2-6-9/h8-10H,1-7H2.
What are the key properties of (2-bromo-1-cyclobutylethyl)cyclobutane?
(2-bromo-1-cyclobutylethyl)cyclobutane has a molecular weight of 217.15 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1-cyclobutylethyl)cyclobutane is sourced from PubChem (CID 130530719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).