cis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane

C9H16Cl2 — CID 134889174

IUPACcis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane
SMILESCCC[C@@H]1[C@H](CCC)C1(Cl)Cl
InChIInChI=1S/C9H16Cl2/c1-3-5-7-8(6-4-2)9(7,10)11/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKeyPVQFLNLBKXZNKE-OCAPTIKFSA-N
MW195.13 g/mol
LogP4.01
Rot. Bonds4

About cis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane

cis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane (PubChem CID 134889174) has the molecular formula C9H16Cl2 and a molecular weight of 195.13 g/mol. Its IUPAC name is cis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane.

Molecular Properties

Compound Namecis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane
PubChem CID134889174
Molecular FormulaC9H16Cl2
Molecular Weight195.13 g/mol
Exact Mass194.06
IUPAC Namecis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane
SMILESCCC[C@@H]1[C@H](CCC)C1(Cl)Cl
InChIInChI=1S/C9H16Cl2/c1-3-5-7-8(6-4-2)9(7,10)11/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKeyPVQFLNLBKXZNKE-OCAPTIKFSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.13
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane?
The IUPAC name of cis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane (CID 134889174) is cis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane.
What is the SMILES notation for cis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane?
The canonical SMILES for cis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane is CCC[C@@H]1[C@H](CCC)C1(Cl)Cl.
What is the InChIKey of cis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane?
The InChIKey is PVQFLNLBKXZNKE-OCAPTIKFSA-N. The full InChI is InChI=1S/C9H16Cl2/c1-3-5-7-8(6-4-2)9(7,10)11/h7-8H,3-6H2,1-2H3/t7-,8+.
What are the key properties of cis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane?
cis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane has a molecular weight of 195.13 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane is sourced from PubChem (CID 134889174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).