(1S,3S,5R,7R)-4,4,8,8-tetrachloro-1,5-dimethyltricyclo[5.1.0.03,5]octane

C10H12Cl4 — CID 11944740

IUPAC(1S,3S,5R,7R)-4,4,8,8-tetrachloro-1,5-dimethyltricyclo[5.1.0.03,5]octane
SMILESC[C@]12C[C@@H]3C(Cl)(Cl)[C@]3(C)C[C@H]1C2(Cl)Cl
InChIInChI=1S/C10H12Cl4/c1-7-3-6-8(2,10(6,13)14)4-5(7)9(7,11)12/h5-6H,3-4H2,1-2H3/t5-,6+,7+,8-
InChIKeyRIRMAOGFIHWDND-SOSBWXJGSA-N
MW274.02 g/mol
LogP4.40
Rot. Bonds

About (1S,3S,5R,7R)-4,4,8,8-tetrachloro-1,5-dimethyltricyclo[5.1.0.03,5]octane

(1S,3S,5R,7R)-4,4,8,8-tetrachloro-1,5-dimethyltricyclo[5.1.0.03,5]octane (PubChem CID 11944740) has the molecular formula C10H12Cl4 and a molecular weight of 274.02 g/mol. Its IUPAC name is (1S,3S,5R,7R)-4,4,8,8-tetrachloro-1,5-dimethyltricyclo[5.1.0.03,5]octane.

Molecular Properties

Compound Name(1S,3S,5R,7R)-4,4,8,8-tetrachloro-1,5-dimethyltricyclo[5.1.0.03,5]octane
PubChem CID11944740
Molecular FormulaC10H12Cl4
Molecular Weight274.02 g/mol
Exact Mass271.97
IUPAC Name(1S,3S,5R,7R)-4,4,8,8-tetrachloro-1,5-dimethyltricyclo[5.1.0.03,5]octane
SMILESC[C@]12C[C@@H]3C(Cl)(Cl)[C@]3(C)C[C@H]1C2(Cl)Cl
InChIInChI=1S/C10H12Cl4/c1-7-3-6-8(2,10(6,13)14)4-5(7)9(7,11)12/h5-6H,3-4H2,1-2H3/t5-,6+,7+,8-
InChIKeyRIRMAOGFIHWDND-SOSBWXJGSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.02
LogP ≤ 54.40
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 (1S,3S,5R,7R)-4,4,8,8-tetrachloro-1,5-dimethyltricyclo[5.1.0.03,5]octane?
The IUPAC name of (1S,3S,5R,7R)-4,4,8,8-tetrachloro-1,5-dimethyltricyclo[5.1.0.03,5]octane (CID 11944740) is (1S,3S,5R,7R)-4,4,8,8-tetrachloro-1,5-dimethyltricyclo[5.1.0.03,5]octane.
What is the SMILES notation for (1S,3S,5R,7R)-4,4,8,8-tetrachloro-1,5-dimethyltricyclo[5.1.0.03,5]octane?
The canonical SMILES for (1S,3S,5R,7R)-4,4,8,8-tetrachloro-1,5-dimethyltricyclo[5.1.0.03,5]octane is C[C@]12C[C@@H]3C(Cl)(Cl)[C@]3(C)C[C@H]1C2(Cl)Cl.
What is the InChIKey of (1S,3S,5R,7R)-4,4,8,8-tetrachloro-1,5-dimethyltricyclo[5.1.0.03,5]octane?
The InChIKey is RIRMAOGFIHWDND-SOSBWXJGSA-N. The full InChI is InChI=1S/C10H12Cl4/c1-7-3-6-8(2,10(6,13)14)4-5(7)9(7,11)12/h5-6H,3-4H2,1-2H3/t5-,6+,7+,8-.
What are the key properties of (1S,3S,5R,7R)-4,4,8,8-tetrachloro-1,5-dimethyltricyclo[5.1.0.03,5]octane?
(1S,3S,5R,7R)-4,4,8,8-tetrachloro-1,5-dimethyltricyclo[5.1.0.03,5]octane has a molecular weight of 274.02 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5R,7R)-4,4,8,8-tetrachloro-1,5-dimethyltricyclo[5.1.0.03,5]octane is sourced from PubChem (CID 11944740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).