(Z)-3,4-dibromo-6-methylhept-2-ene

C8H14Br2 — CID 88780282

IUPAC(Z)-3,4-dibromo-6-methylhept-2-ene
SMILESC/C=C(\Br)C(Br)CC(C)C
InChIInChI=1S/C8H14Br2/c1-4-7(9)8(10)5-6(2)3/h4,6,8H,5H2,1-3H3/b7-4-
InChIKeyMBKQLBKSESXRFQ-DAXSKMNVSA-N
MW270.01 g/mol
LogP4.09
Rot. Bonds3

About (Z)-3,4-dibromo-6-methylhept-2-ene

(Z)-3,4-dibromo-6-methylhept-2-ene (PubChem CID 88780282) has the molecular formula C8H14Br2 and a molecular weight of 270.01 g/mol. Its IUPAC name is (Z)-3,4-dibromo-6-methylhept-2-ene.

Molecular Properties

Compound Name(Z)-3,4-dibromo-6-methylhept-2-ene
PubChem CID88780282
Molecular FormulaC8H14Br2
Molecular Weight270.01 g/mol
Exact Mass267.95
IUPAC Name(Z)-3,4-dibromo-6-methylhept-2-ene
SMILESC/C=C(\Br)C(Br)CC(C)C
InChIInChI=1S/C8H14Br2/c1-4-7(9)8(10)5-6(2)3/h4,6,8H,5H2,1-3H3/b7-4-
InChIKeyMBKQLBKSESXRFQ-DAXSKMNVSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.01
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3,4-dibromo-6-methylhept-2-ene?
The IUPAC name of (Z)-3,4-dibromo-6-methylhept-2-ene (CID 88780282) is (Z)-3,4-dibromo-6-methylhept-2-ene.
What is the SMILES notation for (Z)-3,4-dibromo-6-methylhept-2-ene?
The canonical SMILES for (Z)-3,4-dibromo-6-methylhept-2-ene is C/C=C(\Br)C(Br)CC(C)C.
What is the InChIKey of (Z)-3,4-dibromo-6-methylhept-2-ene?
The InChIKey is MBKQLBKSESXRFQ-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H14Br2/c1-4-7(9)8(10)5-6(2)3/h4,6,8H,5H2,1-3H3/b7-4-.
What are the key properties of (Z)-3,4-dibromo-6-methylhept-2-ene?
(Z)-3,4-dibromo-6-methylhept-2-ene has a molecular weight of 270.01 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4-dibromo-6-methylhept-2-ene is sourced from PubChem (CID 88780282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).