(5R)-1,2,3,4-tetrachloro-7,7-dimethoxy-5-methylbicyclo[2.2.1]hept-2-ene

C10H12Cl4O2 — CID 134855987

IUPAC(5R)-1,2,3,4-tetrachloro-7,7-dimethoxy-5-methylbicyclo[2.2.1]hept-2-ene
SMILESCOC1(OC)C2(Cl)C[C@@H](C)C1(Cl)C(Cl)=C2Cl
InChIInChI=1S/C10H12Cl4O2/c1-5-4-8(13)6(11)7(12)9(5,14)10(8,15-2)16-3/h5H,4H2,1-3H3/t5-,8?,9?/m1/s1
InChIKeyUGHJKCGMSGUDOY-RORPDPNFSA-N
MW306.02 g/mol
LogP3.67
Rot. Bonds2

About (5R)-1,2,3,4-tetrachloro-7,7-dimethoxy-5-methylbicyclo[2.2.1]hept-2-ene

(5R)-1,2,3,4-tetrachloro-7,7-dimethoxy-5-methylbicyclo[2.2.1]hept-2-ene (PubChem CID 134855987) has the molecular formula C10H12Cl4O2 and a molecular weight of 306.02 g/mol. Its IUPAC name is (5R)-1,2,3,4-tetrachloro-7,7-dimethoxy-5-methylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(5R)-1,2,3,4-tetrachloro-7,7-dimethoxy-5-methylbicyclo[2.2.1]hept-2-ene
PubChem CID134855987
Molecular FormulaC10H12Cl4O2
Molecular Weight306.02 g/mol
Exact Mass303.96
IUPAC Name(5R)-1,2,3,4-tetrachloro-7,7-dimethoxy-5-methylbicyclo[2.2.1]hept-2-ene
SMILESCOC1(OC)C2(Cl)C[C@@H](C)C1(Cl)C(Cl)=C2Cl
InChIInChI=1S/C10H12Cl4O2/c1-5-4-8(13)6(11)7(12)9(5,14)10(8,15-2)16-3/h5H,4H2,1-3H3/t5-,8?,9?/m1/s1
InChIKeyUGHJKCGMSGUDOY-RORPDPNFSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.02
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-1,2,3,4-tetrachloro-7,7-dimethoxy-5-methylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of (5R)-1,2,3,4-tetrachloro-7,7-dimethoxy-5-methylbicyclo[2.2.1]hept-2-ene (CID 134855987) is (5R)-1,2,3,4-tetrachloro-7,7-dimethoxy-5-methylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (5R)-1,2,3,4-tetrachloro-7,7-dimethoxy-5-methylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (5R)-1,2,3,4-tetrachloro-7,7-dimethoxy-5-methylbicyclo[2.2.1]hept-2-ene is COC1(OC)C2(Cl)C[C@@H](C)C1(Cl)C(Cl)=C2Cl.
What is the InChIKey of (5R)-1,2,3,4-tetrachloro-7,7-dimethoxy-5-methylbicyclo[2.2.1]hept-2-ene?
The InChIKey is UGHJKCGMSGUDOY-RORPDPNFSA-N. The full InChI is InChI=1S/C10H12Cl4O2/c1-5-4-8(13)6(11)7(12)9(5,14)10(8,15-2)16-3/h5H,4H2,1-3H3/t5-,8?,9?/m1/s1.
What are the key properties of (5R)-1,2,3,4-tetrachloro-7,7-dimethoxy-5-methylbicyclo[2.2.1]hept-2-ene?
(5R)-1,2,3,4-tetrachloro-7,7-dimethoxy-5-methylbicyclo[2.2.1]hept-2-ene has a molecular weight of 306.02 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1,2,3,4-tetrachloro-7,7-dimethoxy-5-methylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 134855987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).