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

C10H16BrCl3 — CID 14865330

IUPAC(Z)-6-bromo-1,7-dichloro-3-(chloromethyl)-7-methyloct-2-ene
SMILESCC(C)(Cl)C(Br)CC/C(=C/CCl)CCl
InChIInChI=1S/C10H16BrCl3/c1-10(2,14)9(11)4-3-8(7-13)5-6-12/h5,9H,3-4,6-7H2,1-2H3/b8-5-
InChIKeyLAPBUZYJFWQRTR-YVMONPNESA-N
MW322.50 g/mol
LogP4.95
Rot. Bonds6

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

(Z)-6-bromo-1,7-dichloro-3-(chloromethyl)-7-methyloct-2-ene (PubChem CID 14865330) has the molecular formula C10H16BrCl3 and a molecular weight of 322.50 g/mol. Its IUPAC name is (Z)-6-bromo-1,7-dichloro-3-(chloromethyl)-7-methyloct-2-ene.

Molecular Properties

Compound Name(Z)-6-bromo-1,7-dichloro-3-(chloromethyl)-7-methyloct-2-ene
PubChem CID14865330
Molecular FormulaC10H16BrCl3
Molecular Weight322.50 g/mol
Exact Mass319.95
IUPAC Name(Z)-6-bromo-1,7-dichloro-3-(chloromethyl)-7-methyloct-2-ene
SMILESCC(C)(Cl)C(Br)CC/C(=C/CCl)CCl
InChIInChI=1S/C10H16BrCl3/c1-10(2,14)9(11)4-3-8(7-13)5-6-12/h5,9H,3-4,6-7H2,1-2H3/b8-5-
InChIKeyLAPBUZYJFWQRTR-YVMONPNESA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.95
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-1,7-dichloro-3-(chloromethyl)-7-methyloct-2-ene?
The IUPAC name of (Z)-6-bromo-1,7-dichloro-3-(chloromethyl)-7-methyloct-2-ene (CID 14865330) is (Z)-6-bromo-1,7-dichloro-3-(chloromethyl)-7-methyloct-2-ene.
What is the SMILES notation for (Z)-6-bromo-1,7-dichloro-3-(chloromethyl)-7-methyloct-2-ene?
The canonical SMILES for (Z)-6-bromo-1,7-dichloro-3-(chloromethyl)-7-methyloct-2-ene is CC(C)(Cl)C(Br)CC/C(=C/CCl)CCl.
What is the InChIKey of (Z)-6-bromo-1,7-dichloro-3-(chloromethyl)-7-methyloct-2-ene?
The InChIKey is LAPBUZYJFWQRTR-YVMONPNESA-N. The full InChI is InChI=1S/C10H16BrCl3/c1-10(2,14)9(11)4-3-8(7-13)5-6-12/h5,9H,3-4,6-7H2,1-2H3/b8-5-.
What are the key properties of (Z)-6-bromo-1,7-dichloro-3-(chloromethyl)-7-methyloct-2-ene?
(Z)-6-bromo-1,7-dichloro-3-(chloromethyl)-7-methyloct-2-ene has a molecular weight of 322.50 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-bromo-1,7-dichloro-3-(chloromethyl)-7-methyloct-2-ene is sourced from PubChem (CID 14865330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).