(2,2-dichloro-3,3-dimethylcyclopropyl)methanol

C6H10Cl2O — CID 12604182

IUPAC(2,2-dichloro-3,3-dimethylcyclopropyl)methanol
SMILESCC1(C)C(CO)C1(Cl)Cl
InChIInChI=1S/C6H10Cl2O/c1-5(2)4(3-9)6(5,7)8/h4,9H,3H2,1-2H3
InChIKeyHYOFFFZOXWCQII-UHFFFAOYSA-N
MW169.05 g/mol
LogP1.81
Rot. Bonds1

About (2,2-dichloro-3,3-dimethylcyclopropyl)methanol

(2,2-dichloro-3,3-dimethylcyclopropyl)methanol (PubChem CID 12604182) has the molecular formula C6H10Cl2O and a molecular weight of 169.05 g/mol. Its IUPAC name is (2,2-dichloro-3,3-dimethylcyclopropyl)methanol.

Molecular Properties

Compound Name(2,2-dichloro-3,3-dimethylcyclopropyl)methanol
PubChem CID12604182
Molecular FormulaC6H10Cl2O
Molecular Weight169.05 g/mol
Exact Mass168.01
IUPAC Name(2,2-dichloro-3,3-dimethylcyclopropyl)methanol
SMILESCC1(C)C(CO)C1(Cl)Cl
InChIInChI=1S/C6H10Cl2O/c1-5(2)4(3-9)6(5,7)8/h4,9H,3H2,1-2H3
InChIKeyHYOFFFZOXWCQII-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-3,3-dimethylcyclopropyl)methanol?
The IUPAC name of (2,2-dichloro-3,3-dimethylcyclopropyl)methanol (CID 12604182) is (2,2-dichloro-3,3-dimethylcyclopropyl)methanol.
What is the SMILES notation for (2,2-dichloro-3,3-dimethylcyclopropyl)methanol?
The canonical SMILES for (2,2-dichloro-3,3-dimethylcyclopropyl)methanol is CC1(C)C(CO)C1(Cl)Cl.
What is the InChIKey of (2,2-dichloro-3,3-dimethylcyclopropyl)methanol?
The InChIKey is HYOFFFZOXWCQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2O/c1-5(2)4(3-9)6(5,7)8/h4,9H,3H2,1-2H3.
What are the key properties of (2,2-dichloro-3,3-dimethylcyclopropyl)methanol?
(2,2-dichloro-3,3-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 (2,2-dichloro-3,3-dimethylcyclopropyl)methanol is sourced from PubChem (CID 12604182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).