4,4-bis(bromomethyl)hepta-1,6-diene

C9H14Br2 — CID 138976596

IUPAC4,4-bis(bromomethyl)hepta-1,6-diene
SMILESC=CCC(CBr)(CBr)CC=C
InChIInChI=1S/C9H14Br2/c1-3-5-9(7-10,8-11)6-4-2/h3-4H,1-2,5-8H2
InChIKeyCZDPYWSSVOJHLT-UHFFFAOYSA-N
MW282.02 g/mol
LogP3.91
Rot. Bonds6

About 4,4-bis(bromomethyl)hepta-1,6-diene

4,4-bis(bromomethyl)hepta-1,6-diene (PubChem CID 138976596) has the molecular formula C9H14Br2 and a molecular weight of 282.02 g/mol. Its IUPAC name is 4,4-bis(bromomethyl)hepta-1,6-diene.

Molecular Properties

Compound Name4,4-bis(bromomethyl)hepta-1,6-diene
PubChem CID138976596
Molecular FormulaC9H14Br2
Molecular Weight282.02 g/mol
Exact Mass279.95
IUPAC Name4,4-bis(bromomethyl)hepta-1,6-diene
SMILESC=CCC(CBr)(CBr)CC=C
InChIInChI=1S/C9H14Br2/c1-3-5-9(7-10,8-11)6-4-2/h3-4H,1-2,5-8H2
InChIKeyCZDPYWSSVOJHLT-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.02
LogP ≤ 53.91
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 4,4-bis(bromomethyl)hepta-1,6-diene?
The IUPAC name of 4,4-bis(bromomethyl)hepta-1,6-diene (CID 138976596) is 4,4-bis(bromomethyl)hepta-1,6-diene.
What is the SMILES notation for 4,4-bis(bromomethyl)hepta-1,6-diene?
The canonical SMILES for 4,4-bis(bromomethyl)hepta-1,6-diene is C=CCC(CBr)(CBr)CC=C.
What is the InChIKey of 4,4-bis(bromomethyl)hepta-1,6-diene?
The InChIKey is CZDPYWSSVOJHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Br2/c1-3-5-9(7-10,8-11)6-4-2/h3-4H,1-2,5-8H2.
What are the key properties of 4,4-bis(bromomethyl)hepta-1,6-diene?
4,4-bis(bromomethyl)hepta-1,6-diene has a molecular weight of 282.02 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(bromomethyl)hepta-1,6-diene is sourced from PubChem (CID 138976596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).