1-(bromomethyl)-3-butylcyclobutane

C9H17Br — CID 86245492

IUPAC1-(bromomethyl)-3-butylcyclobutane
SMILESCCCCC1CC(CBr)C1
InChIInChI=1S/C9H17Br/c1-2-3-4-8-5-9(6-8)7-10/h8-9H,2-7H2,1H3
InChIKeyNQLPHAMWDRMXDY-UHFFFAOYSA-N
MW205.14 g/mol
LogP3.60
Rot. Bonds4

About 1-(bromomethyl)-3-butylcyclobutane

1-(bromomethyl)-3-butylcyclobutane (PubChem CID 86245492) has the molecular formula C9H17Br and a molecular weight of 205.14 g/mol. Its IUPAC name is 1-(bromomethyl)-3-butylcyclobutane.

Molecular Properties

Compound Name1-(bromomethyl)-3-butylcyclobutane
PubChem CID86245492
Molecular FormulaC9H17Br
Molecular Weight205.14 g/mol
Exact Mass204.05
IUPAC Name1-(bromomethyl)-3-butylcyclobutane
SMILESCCCCC1CC(CBr)C1
InChIInChI=1S/C9H17Br/c1-2-3-4-8-5-9(6-8)7-10/h8-9H,2-7H2,1H3
InChIKeyNQLPHAMWDRMXDY-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
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

1-butyl-3,5-dipropylcyclohexane
CID 145132341
5-butyl-1,2,3-trimethylcyclohexane
CID 91035844
N-[(3-butylcyclobutyl)methyl]butan-1-amine
CID 97034533
3-butyl-6-methylbicyclo[3.1.1]heptane
CID 147909490
[(1R,3S)-3-butylcyclopentyl]methanamine
CID 70345503
1-bromo-3-butylcyclopentane
CID 64508261
3-butyl-8-azabicyclo[3.2.1]octane
CID 68907966
3-butyl-5-ethylpiperidine
CID 177138974
3-hexylbicyclo[3.1.0]hexane
CID 142241638
1,3-dipentylcyclohexane
CID 54105663
1-(3-butylcyclobutyl)propan-1-one
CID 118975148
1,3-diheptylcyclohexane
CID 19973333

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-butylcyclobutane?
The IUPAC name of 1-(bromomethyl)-3-butylcyclobutane (CID 86245492) is 1-(bromomethyl)-3-butylcyclobutane.
What is the SMILES notation for 1-(bromomethyl)-3-butylcyclobutane?
The canonical SMILES for 1-(bromomethyl)-3-butylcyclobutane is CCCCC1CC(CBr)C1.
What is the InChIKey of 1-(bromomethyl)-3-butylcyclobutane?
The InChIKey is NQLPHAMWDRMXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br/c1-2-3-4-8-5-9(6-8)7-10/h8-9H,2-7H2,1H3.
What are the key properties of 1-(bromomethyl)-3-butylcyclobutane?
1-(bromomethyl)-3-butylcyclobutane has a molecular weight of 205.14 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-butylcyclobutane is sourced from PubChem (CID 86245492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).