(4S)-1,1-dibromo-4-methylhex-1-ene

C7H12Br2 — CID 89355525

IUPAC(4S)-1,1-dibromo-4-methylhex-1-ene
SMILESCC[C@H](C)CC=C(Br)Br
InChIInChI=1S/C7H12Br2/c1-3-6(2)4-5-7(8)9/h5-6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyTZKHLQJHCQNZLW-LURJTMIESA-N
MW255.98 g/mol
LogP4.05
Rot. Bonds3

About (4S)-1,1-dibromo-4-methylhex-1-ene

(4S)-1,1-dibromo-4-methylhex-1-ene (PubChem CID 89355525) has the molecular formula C7H12Br2 and a molecular weight of 255.98 g/mol. Its IUPAC name is (4S)-1,1-dibromo-4-methylhex-1-ene.

Molecular Properties

Compound Name(4S)-1,1-dibromo-4-methylhex-1-ene
PubChem CID89355525
Molecular FormulaC7H12Br2
Molecular Weight255.98 g/mol
Exact Mass253.93
IUPAC Name(4S)-1,1-dibromo-4-methylhex-1-ene
SMILESCC[C@H](C)CC=C(Br)Br
InChIInChI=1S/C7H12Br2/c1-3-6(2)4-5-7(8)9/h5-6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyTZKHLQJHCQNZLW-LURJTMIESA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.98
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4S)-1,1-dibromo-4-methylhex-1-ene?
The IUPAC name of (4S)-1,1-dibromo-4-methylhex-1-ene (CID 89355525) is (4S)-1,1-dibromo-4-methylhex-1-ene.
What is the SMILES notation for (4S)-1,1-dibromo-4-methylhex-1-ene?
The canonical SMILES for (4S)-1,1-dibromo-4-methylhex-1-ene is CC[C@H](C)CC=C(Br)Br.
What is the InChIKey of (4S)-1,1-dibromo-4-methylhex-1-ene?
The InChIKey is TZKHLQJHCQNZLW-LURJTMIESA-N. The full InChI is InChI=1S/C7H12Br2/c1-3-6(2)4-5-7(8)9/h5-6H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (4S)-1,1-dibromo-4-methylhex-1-ene?
(4S)-1,1-dibromo-4-methylhex-1-ene has a molecular weight of 255.98 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,1-dibromo-4-methylhex-1-ene is sourced from PubChem (CID 89355525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).