(1S,3S,5S,8S)-4,4,9,9-tetrachloro-1-methyltricyclo[6.1.0.03,5]non-6-ene

C10H10Cl4 — CID 98557382

IUPAC(1S,3S,5S,8S)-4,4,9,9-tetrachloro-1-methyltricyclo[6.1.0.03,5]non-6-ene
SMILESC[C@]12C[C@H]3[C@H](C=C[C@@H]1C2(Cl)Cl)C3(Cl)Cl
InChIInChI=1S/C10H10Cl4/c1-8-4-6-5(9(6,11)12)2-3-7(8)10(8,13)14/h2-3,5-7H,4H2,1H3/t5-,6-,7-,8-/m0/s1
InChIKeyBIOGEJDBBKRXFH-XAMCCFCMSA-N
MW272.00 g/mol
LogP4.18
Rot. Bonds

About (1S,3S,5S,8S)-4,4,9,9-tetrachloro-1-methyltricyclo[6.1.0.03,5]non-6-ene

(1S,3S,5S,8S)-4,4,9,9-tetrachloro-1-methyltricyclo[6.1.0.03,5]non-6-ene (PubChem CID 98557382) has the molecular formula C10H10Cl4 and a molecular weight of 272.00 g/mol. Its IUPAC name is (1S,3S,5S,8S)-4,4,9,9-tetrachloro-1-methyltricyclo[6.1.0.03,5]non-6-ene.

Molecular Properties

Compound Name(1S,3S,5S,8S)-4,4,9,9-tetrachloro-1-methyltricyclo[6.1.0.03,5]non-6-ene
PubChem CID98557382
Molecular FormulaC10H10Cl4
Molecular Weight272.00 g/mol
Exact Mass269.95
IUPAC Name(1S,3S,5S,8S)-4,4,9,9-tetrachloro-1-methyltricyclo[6.1.0.03,5]non-6-ene
SMILESC[C@]12C[C@H]3[C@H](C=C[C@@H]1C2(Cl)Cl)C3(Cl)Cl
InChIInChI=1S/C10H10Cl4/c1-8-4-6-5(9(6,11)12)2-3-7(8)10(8,13)14/h2-3,5-7H,4H2,1H3/t5-,6-,7-,8-/m0/s1
InChIKeyBIOGEJDBBKRXFH-XAMCCFCMSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.00
LogP ≤ 54.18
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 (1S,3S,5S,8S)-4,4,9,9-tetrachloro-1-methyltricyclo[6.1.0.03,5]non-6-ene?
The IUPAC name of (1S,3S,5S,8S)-4,4,9,9-tetrachloro-1-methyltricyclo[6.1.0.03,5]non-6-ene (CID 98557382) is (1S,3S,5S,8S)-4,4,9,9-tetrachloro-1-methyltricyclo[6.1.0.03,5]non-6-ene.
What is the SMILES notation for (1S,3S,5S,8S)-4,4,9,9-tetrachloro-1-methyltricyclo[6.1.0.03,5]non-6-ene?
The canonical SMILES for (1S,3S,5S,8S)-4,4,9,9-tetrachloro-1-methyltricyclo[6.1.0.03,5]non-6-ene is C[C@]12C[C@H]3[C@H](C=C[C@@H]1C2(Cl)Cl)C3(Cl)Cl.
What is the InChIKey of (1S,3S,5S,8S)-4,4,9,9-tetrachloro-1-methyltricyclo[6.1.0.03,5]non-6-ene?
The InChIKey is BIOGEJDBBKRXFH-XAMCCFCMSA-N. The full InChI is InChI=1S/C10H10Cl4/c1-8-4-6-5(9(6,11)12)2-3-7(8)10(8,13)14/h2-3,5-7H,4H2,1H3/t5-,6-,7-,8-/m0/s1.
What are the key properties of (1S,3S,5S,8S)-4,4,9,9-tetrachloro-1-methyltricyclo[6.1.0.03,5]non-6-ene?
(1S,3S,5S,8S)-4,4,9,9-tetrachloro-1-methyltricyclo[6.1.0.03,5]non-6-ene has a molecular weight of 272.00 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5S,8S)-4,4,9,9-tetrachloro-1-methyltricyclo[6.1.0.03,5]non-6-ene is sourced from PubChem (CID 98557382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).