(Z)-6-bromo-3-(bromomethyl)-1,7-dichloro-7-methyloct-2-ene

C20H32Br4Cl4 — CID 6517979

IUPAC(Z)-6-bromo-3-(bromomethyl)-1,7-dichloro-7-methyloct-2-ene
SMILESCC(C)(Cl)C(Br)CC/C(=C/CCl)CBr.CC(C)(Cl)C(Br)CC/C(=C/CCl)CBr
InChIInChI=1S/2C10H16Br2Cl2/c2*1-10(2,14)9(12)4-3-8(7-11)5-6-13/h2*5,9H,3-4,6-7H2,1-2H3/b2*8-5-
InChIKeyNTAJUKNNPDRPBE-VKNAHIEFSA-N
MW733.90 g/mol
LogP10.22
Rot. Bonds12

About (Z)-6-bromo-3-(bromomethyl)-1,7-dichloro-7-methyloct-2-ene

(Z)-6-bromo-3-(bromomethyl)-1,7-dichloro-7-methyloct-2-ene (PubChem CID 6517979) has the molecular formula C20H32Br4Cl4 and a molecular weight of 733.90 g/mol. Its IUPAC name is (Z)-6-bromo-3-(bromomethyl)-1,7-dichloro-7-methyloct-2-ene.

Molecular Properties

Compound Name(Z)-6-bromo-3-(bromomethyl)-1,7-dichloro-7-methyloct-2-ene
PubChem CID6517979
Molecular FormulaC20H32Br4Cl4
Molecular Weight733.90 g/mol
Exact Mass727.80
IUPAC Name(Z)-6-bromo-3-(bromomethyl)-1,7-dichloro-7-methyloct-2-ene
SMILESCC(C)(Cl)C(Br)CC/C(=C/CCl)CBr.CC(C)(Cl)C(Br)CC/C(=C/CCl)CBr
InChIInChI=1S/2C10H16Br2Cl2/c2*1-10(2,14)9(12)4-3-8(7-11)5-6-13/h2*5,9H,3-4,6-7H2,1-2H3/b2*8-5-
InChIKeyNTAJUKNNPDRPBE-VKNAHIEFSA-N
XLogP10.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.90
LogP ≤ 510.22
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 (Z)-6-bromo-3-(bromomethyl)-1,7-dichloro-7-methyloct-2-ene?
The IUPAC name of (Z)-6-bromo-3-(bromomethyl)-1,7-dichloro-7-methyloct-2-ene (CID 6517979) is (Z)-6-bromo-3-(bromomethyl)-1,7-dichloro-7-methyloct-2-ene.
What is the SMILES notation for (Z)-6-bromo-3-(bromomethyl)-1,7-dichloro-7-methyloct-2-ene?
The canonical SMILES for (Z)-6-bromo-3-(bromomethyl)-1,7-dichloro-7-methyloct-2-ene is CC(C)(Cl)C(Br)CC/C(=C/CCl)CBr.CC(C)(Cl)C(Br)CC/C(=C/CCl)CBr.
What is the InChIKey of (Z)-6-bromo-3-(bromomethyl)-1,7-dichloro-7-methyloct-2-ene?
The InChIKey is NTAJUKNNPDRPBE-VKNAHIEFSA-N. The full InChI is InChI=1S/2C10H16Br2Cl2/c2*1-10(2,14)9(12)4-3-8(7-11)5-6-13/h2*5,9H,3-4,6-7H2,1-2H3/b2*8-5-.
What are the key properties of (Z)-6-bromo-3-(bromomethyl)-1,7-dichloro-7-methyloct-2-ene?
(Z)-6-bromo-3-(bromomethyl)-1,7-dichloro-7-methyloct-2-ene has a molecular weight of 733.90 g/mol, XLogP of 10.22, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-bromo-3-(bromomethyl)-1,7-dichloro-7-methyloct-2-ene is sourced from PubChem (CID 6517979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).