5-bromo-4-(bromomethyl)pent-1-ene

C6H10Br2 — CID 119097828

IUPAC5-bromo-4-(bromomethyl)pent-1-ene
SMILESC=CCC(CBr)CBr
InChIInChI=1S/C6H10Br2/c1-2-3-6(4-7)5-8/h2,6H,1,3-5H2
InChIKeyMWVHPDUFDDPYPG-UHFFFAOYSA-N
MW241.95 g/mol
LogP2.97
Rot. Bonds4

About 5-bromo-4-(bromomethyl)pent-1-ene

5-bromo-4-(bromomethyl)pent-1-ene (PubChem CID 119097828) has the molecular formula C6H10Br2 and a molecular weight of 241.95 g/mol. Its IUPAC name is 5-bromo-4-(bromomethyl)pent-1-ene.

Molecular Properties

Compound Name5-bromo-4-(bromomethyl)pent-1-ene
PubChem CID119097828
Molecular FormulaC6H10Br2
Molecular Weight241.95 g/mol
Exact Mass239.91
IUPAC Name5-bromo-4-(bromomethyl)pent-1-ene
SMILESC=CCC(CBr)CBr
InChIInChI=1S/C6H10Br2/c1-2-3-6(4-7)5-8/h2,6H,1,3-5H2
InChIKeyMWVHPDUFDDPYPG-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.95
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene
CID 129359665
4-(bromomethyl)-7,7-dimethyloct-1-ene
CID 165442984
4-(bromomethyl)-6-propan-2-yloxyhex-1-ene
CID 165442986
4-(bromomethyl)-6-methylsulfinylhex-1-ene
CID 165444105
(2S)-2-[2-(bromomethyl)pent-4-enyl]oxolane
CID 165447176
2-prop-2-enylpropane-1,3-diamine
CID 19088326
2-prop-2-enylpent-4-en-1-ol
CID 14895210
ethene;4-ethylhex-1-ene
CID 159399050
5-prop-2-enylnona-1,8-diene
CID 54537373
3-prop-2-enylhex-5-en-1-amine;hydrochloride
CID 87789955
hexa-1,5-dien-3-olate
CID 101095679
5-(bromomethyl)-4,7-dimethyloct-1-ene
CID 165445728

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(bromomethyl)pent-1-ene?
The IUPAC name of 5-bromo-4-(bromomethyl)pent-1-ene (CID 119097828) is 5-bromo-4-(bromomethyl)pent-1-ene.
What is the SMILES notation for 5-bromo-4-(bromomethyl)pent-1-ene?
The canonical SMILES for 5-bromo-4-(bromomethyl)pent-1-ene is C=CCC(CBr)CBr.
What is the InChIKey of 5-bromo-4-(bromomethyl)pent-1-ene?
The InChIKey is MWVHPDUFDDPYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2/c1-2-3-6(4-7)5-8/h2,6H,1,3-5H2.
What are the key properties of 5-bromo-4-(bromomethyl)pent-1-ene?
5-bromo-4-(bromomethyl)pent-1-ene has a molecular weight of 241.95 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(bromomethyl)pent-1-ene is sourced from PubChem (CID 119097828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).