(3R)-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene

C10H16BrCl — CID 162882813

IUPAC(3R)-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene
SMILESC=C[C@@](Cl)(CBr)CCC=C(C)C
InChIInChI=1S/C10H16BrCl/c1-4-10(12,8-11)7-5-6-9(2)3/h4,6H,1,5,7-8H2,2-3H3/t10-/m0/s1
InChIKeyAXQZHNCLKGWAAS-JTQLQIEISA-N
MW251.59 g/mol
LogP4.29
Rot. Bonds5

About (3R)-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene

(3R)-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene (PubChem CID 162882813) has the molecular formula C10H16BrCl and a molecular weight of 251.59 g/mol. Its IUPAC name is (3R)-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene.

Molecular Properties

Compound Name(3R)-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene
PubChem CID162882813
Molecular FormulaC10H16BrCl
Molecular Weight251.59 g/mol
Exact Mass250.01
IUPAC Name(3R)-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene
SMILESC=C[C@@](Cl)(CBr)CCC=C(C)C
InChIInChI=1S/C10H16BrCl/c1-4-10(12,8-11)7-5-6-9(2)3/h4,6H,1,5,7-8H2,2-3H3/t10-/m0/s1
InChIKeyAXQZHNCLKGWAAS-JTQLQIEISA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.59
LogP ≤ 54.29
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 (3R)-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene?
The IUPAC name of (3R)-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene (CID 162882813) is (3R)-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene.
What is the SMILES notation for (3R)-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene?
The canonical SMILES for (3R)-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene is C=C[C@@](Cl)(CBr)CCC=C(C)C.
What is the InChIKey of (3R)-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene?
The InChIKey is AXQZHNCLKGWAAS-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16BrCl/c1-4-10(12,8-11)7-5-6-9(2)3/h4,6H,1,5,7-8H2,2-3H3/t10-/m0/s1.
What are the key properties of (3R)-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene?
(3R)-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene has a molecular weight of 251.59 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene is sourced from PubChem (CID 162882813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).