3-bromopentane

C5H11Br — CID 15738

IUPAC3-bromopentane
SMILESCCC(Br)CC
InChIInChI=1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3
InChIKeyVTOQFOCYBTVOJZ-UHFFFAOYSA-N
MW151.05 g/mol
LogP2.57
Rot. Bonds2

About 3-bromopentane

3-bromopentane (PubChem CID 15738) has the molecular formula C5H11Br and a molecular weight of 151.05 g/mol. Its IUPAC name is 3-bromopentane.

Molecular Properties

Compound Name3-bromopentane
PubChem CID15738
Molecular FormulaC5H11Br
Molecular Weight151.05 g/mol
Exact Mass150.00
IUPAC Name3-bromopentane
SMILESCCC(Br)CC
InChIInChI=1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3
InChIKeyVTOQFOCYBTVOJZ-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.05
LogP ≤ 52.57
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

3-bromohexane
CID 18806
(3S,4S)-3,4-dibromohexane
CID 98087028
3-bromo-1,1,1-trichloropentane
CID 119096269
2-bromobutyl(trichloro)silane
CID 134933989
3-bromopentyl(trimethyl)azanium bromide
CID 22252045
3-bromooctadecane;methanamine
CID 172853004
[(2S)-2-bromobutyl] acetate
CID 12597024
[(2R)-2-bromobutyl] acetate
CID 91998808
1-bromopropyl(triethyl)phosphanium
CID 21257940
CID 88797097
CID 88797097
6-bromo-1-methoxyoctane
CID 64507402
5-bromo-1-propan-2-yloxyheptane
CID 64506959

Frequently Asked Questions

What is the IUPAC name of 3-bromopentane?
The IUPAC name of 3-bromopentane (CID 15738) is 3-bromopentane.
What is the SMILES notation for 3-bromopentane?
The canonical SMILES for 3-bromopentane is CCC(Br)CC.
What is the InChIKey of 3-bromopentane?
The InChIKey is VTOQFOCYBTVOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3.
What are the key properties of 3-bromopentane?
3-bromopentane has a molecular weight of 151.05 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopentane is sourced from PubChem (CID 15738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).