(4R)-5-bromo-4-methylpent-1-ene

C6H11Br — CID 11423760

IUPAC(4R)-5-bromo-4-methylpent-1-ene
SMILESC=CC[C@@H](C)CBr
InChIInChI=1S/C6H11Br/c1-3-4-6(2)5-7/h3,6H,1,4-5H2,2H3/t6-/m1/s1
InChIKeyPNIJDHKXDHFPBM-ZCFIWIBFSA-N
MW163.06 g/mol
LogP2.59
Rot. Bonds3

About (4R)-5-bromo-4-methylpent-1-ene

(4R)-5-bromo-4-methylpent-1-ene (PubChem CID 11423760) has the molecular formula C6H11Br and a molecular weight of 163.06 g/mol. Its IUPAC name is (4R)-5-bromo-4-methylpent-1-ene.

Molecular Properties

Compound Name(4R)-5-bromo-4-methylpent-1-ene
PubChem CID11423760
Molecular FormulaC6H11Br
Molecular Weight163.06 g/mol
Exact Mass162.00
IUPAC Name(4R)-5-bromo-4-methylpent-1-ene
SMILESC=CC[C@@H](C)CBr
InChIInChI=1S/C6H11Br/c1-3-4-6(2)5-7/h3,6H,1,4-5H2,2H3/t6-/m1/s1
InChIKeyPNIJDHKXDHFPBM-ZCFIWIBFSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.06
LogP ≤ 52.59
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 (4R)-5-bromo-4-methylpent-1-ene?
The IUPAC name of (4R)-5-bromo-4-methylpent-1-ene (CID 11423760) is (4R)-5-bromo-4-methylpent-1-ene.
What is the SMILES notation for (4R)-5-bromo-4-methylpent-1-ene?
The canonical SMILES for (4R)-5-bromo-4-methylpent-1-ene is C=CC[C@@H](C)CBr.
What is the InChIKey of (4R)-5-bromo-4-methylpent-1-ene?
The InChIKey is PNIJDHKXDHFPBM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11Br/c1-3-4-6(2)5-7/h3,6H,1,4-5H2,2H3/t6-/m1/s1.
What are the key properties of (4R)-5-bromo-4-methylpent-1-ene?
(4R)-5-bromo-4-methylpent-1-ene has a molecular weight of 163.06 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-bromo-4-methylpent-1-ene is sourced from PubChem (CID 11423760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).