cis-(2S,3R)-2-(2,2-dichloroethenyl)-1,1-dimethyl-3-propan-2-ylcyclopropane

C10H15Cl2- — CID 169302898

IUPACcis-(2S,3R)-2-(2,2-dichloroethenyl)-1,1-dimethyl-3-propan-2-ylcyclopropane
SMILES[CH2-]C(C)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C
InChIInChI=1S/C10H15Cl2/c1-6(2)9-7(5-8(11)12)10(9,3)4/h5-7,9H,1H2,2-4H3/q-1/t6?,7-,9-/m1/s1
InChIKeyCPLOWXQJUABLBZ-QIEYWLDOSA-N
MW206.14 g/mol
LogP4.05
Rot. Bonds2

About cis-(2S,3R)-2-(2,2-dichloroethenyl)-1,1-dimethyl-3-propan-2-ylcyclopropane

cis-(2S,3R)-2-(2,2-dichloroethenyl)-1,1-dimethyl-3-propan-2-ylcyclopropane (PubChem CID 169302898) has the molecular formula C10H15Cl2- and a molecular weight of 206.14 g/mol. Its IUPAC name is cis-(2S,3R)-2-(2,2-dichloroethenyl)-1,1-dimethyl-3-propan-2-ylcyclopropane.

Molecular Properties

Compound Namecis-(2S,3R)-2-(2,2-dichloroethenyl)-1,1-dimethyl-3-propan-2-ylcyclopropane
PubChem CID169302898
Molecular FormulaC10H15Cl2-
Molecular Weight206.14 g/mol
Exact Mass205.06
IUPAC Namecis-(2S,3R)-2-(2,2-dichloroethenyl)-1,1-dimethyl-3-propan-2-ylcyclopropane
SMILES[CH2-]C(C)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C
InChIInChI=1S/C10H15Cl2/c1-6(2)9-7(5-8(11)12)10(9,3)4/h5-7,9H,1H2,2-4H3/q-1/t6?,7-,9-/m1/s1
InChIKeyCPLOWXQJUABLBZ-QIEYWLDOSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.14
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(2S,3R)-2-(2,2-dichloroethenyl)-1,1-dimethyl-3-propan-2-ylcyclopropane?
The IUPAC name of cis-(2S,3R)-2-(2,2-dichloroethenyl)-1,1-dimethyl-3-propan-2-ylcyclopropane (CID 169302898) is cis-(2S,3R)-2-(2,2-dichloroethenyl)-1,1-dimethyl-3-propan-2-ylcyclopropane.
What is the SMILES notation for cis-(2S,3R)-2-(2,2-dichloroethenyl)-1,1-dimethyl-3-propan-2-ylcyclopropane?
The canonical SMILES for cis-(2S,3R)-2-(2,2-dichloroethenyl)-1,1-dimethyl-3-propan-2-ylcyclopropane is [CH2-]C(C)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C.
What is the InChIKey of cis-(2S,3R)-2-(2,2-dichloroethenyl)-1,1-dimethyl-3-propan-2-ylcyclopropane?
The InChIKey is CPLOWXQJUABLBZ-QIEYWLDOSA-N. The full InChI is InChI=1S/C10H15Cl2/c1-6(2)9-7(5-8(11)12)10(9,3)4/h5-7,9H,1H2,2-4H3/q-1/t6?,7-,9-/m1/s1.
What are the key properties of cis-(2S,3R)-2-(2,2-dichloroethenyl)-1,1-dimethyl-3-propan-2-ylcyclopropane?
cis-(2S,3R)-2-(2,2-dichloroethenyl)-1,1-dimethyl-3-propan-2-ylcyclopropane has a molecular weight of 206.14 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3R)-2-(2,2-dichloroethenyl)-1,1-dimethyl-3-propan-2-ylcyclopropane is sourced from PubChem (CID 169302898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).