cis-(2R,3R)-1,1-dichloro-2-[(Z)-2-[(1R)-2,2-dichloro-3,3-dimethylcyclopropyl]ethenyl]-2,3-dimethylcyclopropane

C12H16Cl4 — CID 98475278

IUPACcis-(2R,3R)-1,1-dichloro-2-[(Z)-2-[(1R)-2,2-dichloro-3,3-dimethylcyclopropyl]ethenyl]-2,3-dimethylcyclopropane
SMILESC[C@H]1C(Cl)(Cl)[C@]1(C)/C=C\[C@@H]1C(C)(C)C1(Cl)Cl
InChIInChI=1S/C12H16Cl4/c1-7-10(4,11(7,13)14)6-5-8-9(2,3)12(8,15)16/h5-8H,1-4H3/b6-5-/t7-,8-,10-/m1/s1
InChIKeyVCDQRKTVZNZMPA-HYKVNZFTSA-N
MW302.07 g/mol
LogP5.20
Rot. Bonds2

About cis-(2R,3R)-1,1-dichloro-2-[(Z)-2-[(1R)-2,2-dichloro-3,3-dimethylcyclopropyl]ethenyl]-2,3-dimethylcyclopropane

cis-(2R,3R)-1,1-dichloro-2-[(Z)-2-[(1R)-2,2-dichloro-3,3-dimethylcyclopropyl]ethenyl]-2,3-dimethylcyclopropane (PubChem CID 98475278) has the molecular formula C12H16Cl4 and a molecular weight of 302.07 g/mol. Its IUPAC name is cis-(2R,3R)-1,1-dichloro-2-[(Z)-2-[(1R)-2,2-dichloro-3,3-dimethylcyclopropyl]ethenyl]-2,3-dimethylcyclopropane.

Molecular Properties

Compound Namecis-(2R,3R)-1,1-dichloro-2-[(Z)-2-[(1R)-2,2-dichloro-3,3-dimethylcyclopropyl]ethenyl]-2,3-dimethylcyclopropane
PubChem CID98475278
Molecular FormulaC12H16Cl4
Molecular Weight302.07 g/mol
Exact Mass300.00
IUPAC Namecis-(2R,3R)-1,1-dichloro-2-[(Z)-2-[(1R)-2,2-dichloro-3,3-dimethylcyclopropyl]ethenyl]-2,3-dimethylcyclopropane
SMILESC[C@H]1C(Cl)(Cl)[C@]1(C)/C=C\[C@@H]1C(C)(C)C1(Cl)Cl
InChIInChI=1S/C12H16Cl4/c1-7-10(4,11(7,13)14)6-5-8-9(2,3)12(8,15)16/h5-8H,1-4H3/b6-5-/t7-,8-,10-/m1/s1
InChIKeyVCDQRKTVZNZMPA-HYKVNZFTSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.07
LogP ≤ 55.20
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 cis-(2R,3R)-1,1-dichloro-2-[(Z)-2-[(1R)-2,2-dichloro-3,3-dimethylcyclopropyl]ethenyl]-2,3-dimethylcyclopropane?
The IUPAC name of cis-(2R,3R)-1,1-dichloro-2-[(Z)-2-[(1R)-2,2-dichloro-3,3-dimethylcyclopropyl]ethenyl]-2,3-dimethylcyclopropane (CID 98475278) is cis-(2R,3R)-1,1-dichloro-2-[(Z)-2-[(1R)-2,2-dichloro-3,3-dimethylcyclopropyl]ethenyl]-2,3-dimethylcyclopropane.
What is the SMILES notation for cis-(2R,3R)-1,1-dichloro-2-[(Z)-2-[(1R)-2,2-dichloro-3,3-dimethylcyclopropyl]ethenyl]-2,3-dimethylcyclopropane?
The canonical SMILES for cis-(2R,3R)-1,1-dichloro-2-[(Z)-2-[(1R)-2,2-dichloro-3,3-dimethylcyclopropyl]ethenyl]-2,3-dimethylcyclopropane is C[C@H]1C(Cl)(Cl)[C@]1(C)/C=C\[C@@H]1C(C)(C)C1(Cl)Cl.
What is the InChIKey of cis-(2R,3R)-1,1-dichloro-2-[(Z)-2-[(1R)-2,2-dichloro-3,3-dimethylcyclopropyl]ethenyl]-2,3-dimethylcyclopropane?
The InChIKey is VCDQRKTVZNZMPA-HYKVNZFTSA-N. The full InChI is InChI=1S/C12H16Cl4/c1-7-10(4,11(7,13)14)6-5-8-9(2,3)12(8,15)16/h5-8H,1-4H3/b6-5-/t7-,8-,10-/m1/s1.
What are the key properties of cis-(2R,3R)-1,1-dichloro-2-[(Z)-2-[(1R)-2,2-dichloro-3,3-dimethylcyclopropyl]ethenyl]-2,3-dimethylcyclopropane?
cis-(2R,3R)-1,1-dichloro-2-[(Z)-2-[(1R)-2,2-dichloro-3,3-dimethylcyclopropyl]ethenyl]-2,3-dimethylcyclopropane has a molecular weight of 302.07 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3R)-1,1-dichloro-2-[(Z)-2-[(1R)-2,2-dichloro-3,3-dimethylcyclopropyl]ethenyl]-2,3-dimethylcyclopropane is sourced from PubChem (CID 98475278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).