[(1S,3S)-2,2-dichloro-1,3-dimethylcyclopropyl]methanol

C6H10Cl2O — CID 70490537

IUPAC[(1S,3S)-2,2-dichloro-1,3-dimethylcyclopropyl]methanol
SMILESC[C@@H]1C(Cl)(Cl)[C@]1(C)CO
InChIInChI=1S/C6H10Cl2O/c1-4-5(2,3-9)6(4,7)8/h4,9H,3H2,1-2H3/t4-,5+/m0/s1
InChIKeyLMFPQPWBXKTICU-CRCLSJGQSA-N
MW169.05 g/mol
LogP1.81
Rot. Bonds1

About [(1S,3S)-2,2-dichloro-1,3-dimethylcyclopropyl]methanol

[(1S,3S)-2,2-dichloro-1,3-dimethylcyclopropyl]methanol (PubChem CID 70490537) has the molecular formula C6H10Cl2O and a molecular weight of 169.05 g/mol. Its IUPAC name is [(1S,3S)-2,2-dichloro-1,3-dimethylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,3S)-2,2-dichloro-1,3-dimethylcyclopropyl]methanol
PubChem CID70490537
Molecular FormulaC6H10Cl2O
Molecular Weight169.05 g/mol
Exact Mass168.01
IUPAC Name[(1S,3S)-2,2-dichloro-1,3-dimethylcyclopropyl]methanol
SMILESC[C@@H]1C(Cl)(Cl)[C@]1(C)CO
InChIInChI=1S/C6H10Cl2O/c1-4-5(2,3-9)6(4,7)8/h4,9H,3H2,1-2H3/t4-,5+/m0/s1
InChIKeyLMFPQPWBXKTICU-CRCLSJGQSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.05
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1S,3S)-2,2-dichloro-1,3-dimethylcyclopropyl]methanol 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 [(1S,3S)-2,2-dichloro-1,3-dimethylcyclopropyl]methanol?
The IUPAC name of [(1S,3S)-2,2-dichloro-1,3-dimethylcyclopropyl]methanol (CID 70490537) is [(1S,3S)-2,2-dichloro-1,3-dimethylcyclopropyl]methanol.
What is the SMILES notation for [(1S,3S)-2,2-dichloro-1,3-dimethylcyclopropyl]methanol?
The canonical SMILES for [(1S,3S)-2,2-dichloro-1,3-dimethylcyclopropyl]methanol is C[C@@H]1C(Cl)(Cl)[C@]1(C)CO.
What is the InChIKey of [(1S,3S)-2,2-dichloro-1,3-dimethylcyclopropyl]methanol?
The InChIKey is LMFPQPWBXKTICU-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H10Cl2O/c1-4-5(2,3-9)6(4,7)8/h4,9H,3H2,1-2H3/t4-,5+/m0/s1.
What are the key properties of [(1S,3S)-2,2-dichloro-1,3-dimethylcyclopropyl]methanol?
[(1S,3S)-2,2-dichloro-1,3-dimethylcyclopropyl]methanol has a molecular weight of 169.05 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-2,2-dichloro-1,3-dimethylcyclopropyl]methanol is sourced from PubChem (CID 70490537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).