1-(bromomethyl)-1-propylcyclobutane

C8H15Br — CID 66050850

IUPAC1-(bromomethyl)-1-propylcyclobutane
SMILESCCCC1(CBr)CCC1
InChIInChI=1S/C8H15Br/c1-2-4-8(7-9)5-3-6-8/h2-7H2,1H3
InChIKeyIZIPMJCNFJBYPU-UHFFFAOYSA-N
MW191.11 g/mol
LogP3.35
Rot. Bonds3

About 1-(bromomethyl)-1-propylcyclobutane

1-(bromomethyl)-1-propylcyclobutane (PubChem CID 66050850) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is 1-(bromomethyl)-1-propylcyclobutane.

Molecular Properties

Compound Name1-(bromomethyl)-1-propylcyclobutane
PubChem CID66050850
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name1-(bromomethyl)-1-propylcyclobutane
SMILESCCCC1(CBr)CCC1
InChIInChI=1S/C8H15Br/c1-2-4-8(7-9)5-3-6-8/h2-7H2,1H3
InChIKeyIZIPMJCNFJBYPU-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 53.35
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

1-ethyl-1-propylcyclobutane
CID 58586108
1,1-bis(bromomethyl)cyclobutane
CID 12651155
1-(3-bromopropyl)-1-propylcyclohexane
CID 150638484
1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane
CID 66048902
1,1-bis(bromomethyl)cyclopentane
CID 12651156
ethane;1-(methoxymethyl)-1-propylcyclopentane
CID 143806992
1-(2-methoxyethyl)-1-propylcyclobutane
CID 164846249
ethane;1-ethyl-1-propylcyclopropane;propane
CID 177054904
1-(bromomethyl)-1-(methoxymethyl)cyclobutane
CID 65007363
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine
CID 65009568
2-methyl-N-[(1-propylcyclobutyl)methyl]propan-1-amine
CID 65196170
4-(bromomethyl)-4-butyloxane
CID 66048650

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-propylcyclobutane?
The IUPAC name of 1-(bromomethyl)-1-propylcyclobutane (CID 66050850) is 1-(bromomethyl)-1-propylcyclobutane.
What is the SMILES notation for 1-(bromomethyl)-1-propylcyclobutane?
The canonical SMILES for 1-(bromomethyl)-1-propylcyclobutane is CCCC1(CBr)CCC1.
What is the InChIKey of 1-(bromomethyl)-1-propylcyclobutane?
The InChIKey is IZIPMJCNFJBYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br/c1-2-4-8(7-9)5-3-6-8/h2-7H2,1H3.
What are the key properties of 1-(bromomethyl)-1-propylcyclobutane?
1-(bromomethyl)-1-propylcyclobutane has a molecular weight of 191.11 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-propylcyclobutane is sourced from PubChem (CID 66050850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).