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

C10H16Br2Cl2 — CID 98561552

IUPAC(Z,6S)-6-bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene
SMILESCC(C)[C@@H](Br)CC/C(CBr)=C(/Cl)CCl
InChIInChI=1S/C10H16Br2Cl2/c1-7(2)9(12)4-3-8(5-11)10(14)6-13/h7,9H,3-6H2,1-2H3/b10-8-/t9-/m0/s1
InChIKeyUXRINMVIUVVTLH-CUQRQBARSA-N
MW366.95 g/mol
LogP5.31
Rot. Bonds6

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

(Z,6S)-6-bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene (PubChem CID 98561552) has the molecular formula C10H16Br2Cl2 and a molecular weight of 366.95 g/mol. Its IUPAC name is (Z,6S)-6-bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene.

Molecular Properties

Compound Name(Z,6S)-6-bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene
PubChem CID98561552
Molecular FormulaC10H16Br2Cl2
Molecular Weight366.95 g/mol
Exact Mass363.90
IUPAC Name(Z,6S)-6-bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene
SMILESCC(C)[C@@H](Br)CC/C(CBr)=C(/Cl)CCl
InChIInChI=1S/C10H16Br2Cl2/c1-7(2)9(12)4-3-8(5-11)10(14)6-13/h7,9H,3-6H2,1-2H3/b10-8-/t9-/m0/s1
InChIKeyUXRINMVIUVVTLH-CUQRQBARSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.95
LogP ≤ 55.31
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,6S)-6-bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene?
The IUPAC name of (Z,6S)-6-bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene (CID 98561552) is (Z,6S)-6-bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene.
What is the SMILES notation for (Z,6S)-6-bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene?
The canonical SMILES for (Z,6S)-6-bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene is CC(C)[C@@H](Br)CC/C(CBr)=C(/Cl)CCl.
What is the InChIKey of (Z,6S)-6-bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene?
The InChIKey is UXRINMVIUVVTLH-CUQRQBARSA-N. The full InChI is InChI=1S/C10H16Br2Cl2/c1-7(2)9(12)4-3-8(5-11)10(14)6-13/h7,9H,3-6H2,1-2H3/b10-8-/t9-/m0/s1.
What are the key properties of (Z,6S)-6-bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene?
(Z,6S)-6-bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene has a molecular weight of 366.95 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,6S)-6-bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene is sourced from PubChem (CID 98561552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).