(3R)-5-bromo-3-ethylpent-1-ene

C7H13Br — CID 125475757

IUPAC(3R)-5-bromo-3-ethylpent-1-ene
SMILESC=C[C@H](CC)CCBr
InChIInChI=1S/C7H13Br/c1-3-7(4-2)5-6-8/h3,7H,1,4-6H2,2H3/t7-/m1/s1
InChIKeyPVYACVRHADYURM-SSDOTTSWSA-N
MW177.08 g/mol
LogP2.98
Rot. Bonds4

About (3R)-5-bromo-3-ethylpent-1-ene

(3R)-5-bromo-3-ethylpent-1-ene (PubChem CID 125475757) has the molecular formula C7H13Br and a molecular weight of 177.08 g/mol. Its IUPAC name is (3R)-5-bromo-3-ethylpent-1-ene.

Molecular Properties

Compound Name(3R)-5-bromo-3-ethylpent-1-ene
PubChem CID125475757
Molecular FormulaC7H13Br
Molecular Weight177.08 g/mol
Exact Mass176.02
IUPAC Name(3R)-5-bromo-3-ethylpent-1-ene
SMILESC=C[C@H](CC)CCBr
InChIInChI=1S/C7H13Br/c1-3-7(4-2)5-6-8/h3,7H,1,4-6H2,2H3/t7-/m1/s1
InChIKeyPVYACVRHADYURM-SSDOTTSWSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.08
LogP ≤ 52.98
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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Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-3-ethylpent-1-ene?
The IUPAC name of (3R)-5-bromo-3-ethylpent-1-ene (CID 125475757) is (3R)-5-bromo-3-ethylpent-1-ene.
What is the SMILES notation for (3R)-5-bromo-3-ethylpent-1-ene?
The canonical SMILES for (3R)-5-bromo-3-ethylpent-1-ene is C=C[C@H](CC)CCBr.
What is the InChIKey of (3R)-5-bromo-3-ethylpent-1-ene?
The InChIKey is PVYACVRHADYURM-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13Br/c1-3-7(4-2)5-6-8/h3,7H,1,4-6H2,2H3/t7-/m1/s1.
What are the key properties of (3R)-5-bromo-3-ethylpent-1-ene?
(3R)-5-bromo-3-ethylpent-1-ene has a molecular weight of 177.08 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-3-ethylpent-1-ene is sourced from PubChem (CID 125475757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).