(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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Related Compounds

(Z)-6-bromo-3-(bromomethyl)-1,7-dichloro-7-methyloct-2-ene
CID 6517979
3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene
CID 72732358
(3E)-6-bromo-2,7-dichloro-3-(chloromethylidene)-7-methyloct-1-ene
CID 5468045
(3Z)-6-bromo-2,7-dichloro-3-(chloromethylidene)-7-methyloct-1-ene
CID 6518123
(Z)-1,6,7-tribromo-3-(bromomethyl)-7-methyloct-2-ene;(E)-1,6,7-tribromo-3-(bromomethyl)-7-methyloct-2-ene
CID 5467633
(2E,6Z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dienal
CID 14865331
1-chloro-3-ethylpent-2-ene
CID 15197587
(2S,3R,4S,6R)-1,4,6-tribromo-3,7-dichloro-3,7-dimethyloctan-2-ol
CID 162935992
(E)-6,7-dichloro-3,7-dimethyloct-2-ene
CID 22151192
6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol
CID 72740292
(Z)-2-bromo-1,4-dichlorobut-2-ene
CID 10910617
1,1,4-trichloro-3-(2-chloroethyl)-4-methylpent-1-ene
CID 57189473

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).