1-(1-bromoethyl)-3-methylcyclobutane

C7H13Br — CID 103565382

IUPAC1-(1-bromoethyl)-3-methylcyclobutane
SMILESCC1CC(C(C)Br)C1
InChIInChI=1S/C7H13Br/c1-5-3-7(4-5)6(2)8/h5-7H,3-4H2,1-2H3
InChIKeySDPRIPFSNXDSNL-UHFFFAOYSA-N
MW177.08 g/mol
LogP2.82
Rot. Bonds1

About 1-(1-bromoethyl)-3-methylcyclobutane

1-(1-bromoethyl)-3-methylcyclobutane (PubChem CID 103565382) has the molecular formula C7H13Br and a molecular weight of 177.08 g/mol. Its IUPAC name is 1-(1-bromoethyl)-3-methylcyclobutane.

Molecular Properties

Compound Name1-(1-bromoethyl)-3-methylcyclobutane
PubChem CID103565382
Molecular FormulaC7H13Br
Molecular Weight177.08 g/mol
Exact Mass176.02
IUPAC Name1-(1-bromoethyl)-3-methylcyclobutane
SMILESCC1CC(C(C)Br)C1
InChIInChI=1S/C7H13Br/c1-5-3-7(4-5)6(2)8/h5-7H,3-4H2,1-2H3
InChIKeySDPRIPFSNXDSNL-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.08
LogP ≤ 52.82
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

cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane
CID 130223743
N-methyl-1-(3-methylcyclobutyl)ethanamine
CID 103565343
1-(3,5-dimethylcyclohexyl)propane-1,2-diol
CID 103452734
1-(1-hydroperoxyethyl)-3-methylcyclobutane
CID 88563840
1-(dichloromethyl)-3-methylcyclobutane
CID 89061461
3-(3,5-dimethylcyclohexyl)butan-2-ol
CID 79423302
1-bromoethylcyclododecane
CID 66471074
1-(4-chlorobutan-2-yl)-3-methylcyclobutane
CID 123326544
1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol
CID 64731273
4-(3,5-dimethylcyclohexyl)pentan-2-ol
CID 64730562
1-bromo-3-methylcyclobutane
CID 14372773
1-(3-methylcyclopentyl)ethanol
CID 12501270

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromoethyl)-3-methylcyclobutane?
The IUPAC name of 1-(1-bromoethyl)-3-methylcyclobutane (CID 103565382) is 1-(1-bromoethyl)-3-methylcyclobutane.
What is the SMILES notation for 1-(1-bromoethyl)-3-methylcyclobutane?
The canonical SMILES for 1-(1-bromoethyl)-3-methylcyclobutane is CC1CC(C(C)Br)C1.
What is the InChIKey of 1-(1-bromoethyl)-3-methylcyclobutane?
The InChIKey is SDPRIPFSNXDSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Br/c1-5-3-7(4-5)6(2)8/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(1-bromoethyl)-3-methylcyclobutane?
1-(1-bromoethyl)-3-methylcyclobutane has a molecular weight of 177.08 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromoethyl)-3-methylcyclobutane is sourced from PubChem (CID 103565382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).