(2,2-dichloro-1-methylcyclopropyl)methanol

C5H8Cl2O — CID 13018564

IUPAC(2,2-dichloro-1-methylcyclopropyl)methanol
SMILESCC1(CO)CC1(Cl)Cl
InChIInChI=1S/C5H8Cl2O/c1-4(3-8)2-5(4,6)7/h8H,2-3H2,1H3
InChIKeyZHLBVFATSVKTKF-UHFFFAOYSA-N
MW155.02 g/mol
LogP1.56
Rot. Bonds1

About (2,2-dichloro-1-methylcyclopropyl)methanol

(2,2-dichloro-1-methylcyclopropyl)methanol (PubChem CID 13018564) has the molecular formula C5H8Cl2O and a molecular weight of 155.02 g/mol. Its IUPAC name is (2,2-dichloro-1-methylcyclopropyl)methanol.

Molecular Properties

Compound Name(2,2-dichloro-1-methylcyclopropyl)methanol
PubChem CID13018564
Molecular FormulaC5H8Cl2O
Molecular Weight155.02 g/mol
Exact Mass154.00
IUPAC Name(2,2-dichloro-1-methylcyclopropyl)methanol
SMILESCC1(CO)CC1(Cl)Cl
InChIInChI=1S/C5H8Cl2O/c1-4(3-8)2-5(4,6)7/h8H,2-3H2,1H3
InChIKeyZHLBVFATSVKTKF-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.02
LogP ≤ 51.56
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-1-methylcyclopropyl)methanol?
The IUPAC name of (2,2-dichloro-1-methylcyclopropyl)methanol (CID 13018564) is (2,2-dichloro-1-methylcyclopropyl)methanol.
What is the SMILES notation for (2,2-dichloro-1-methylcyclopropyl)methanol?
The canonical SMILES for (2,2-dichloro-1-methylcyclopropyl)methanol is CC1(CO)CC1(Cl)Cl.
What is the InChIKey of (2,2-dichloro-1-methylcyclopropyl)methanol?
The InChIKey is ZHLBVFATSVKTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2O/c1-4(3-8)2-5(4,6)7/h8H,2-3H2,1H3.
What are the key properties of (2,2-dichloro-1-methylcyclopropyl)methanol?
(2,2-dichloro-1-methylcyclopropyl)methanol has a molecular weight of 155.02 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-1-methylcyclopropyl)methanol is sourced from PubChem (CID 13018564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).