1,3-dichloro-2-methylbutan-2-ol

C5H10Cl2O — CID 55302434

IUPAC1,3-dichloro-2-methylbutan-2-ol
SMILESCC(Cl)C(C)(O)CCl
InChIInChI=1S/C5H10Cl2O/c1-4(7)5(2,8)3-6/h4,8H,3H2,1-2H3
InChIKeyRAWZQCXCBNJQFH-UHFFFAOYSA-N
MW157.04 g/mol
LogP1.60
Rot. Bonds2

About 1,3-dichloro-2-methylbutan-2-ol

1,3-dichloro-2-methylbutan-2-ol (PubChem CID 55302434) has the molecular formula C5H10Cl2O and a molecular weight of 157.04 g/mol. Its IUPAC name is 1,3-dichloro-2-methylbutan-2-ol.

Molecular Properties

Compound Name1,3-dichloro-2-methylbutan-2-ol
PubChem CID55302434
Molecular FormulaC5H10Cl2O
Molecular Weight157.04 g/mol
Exact Mass156.01
IUPAC Name1,3-dichloro-2-methylbutan-2-ol
SMILESCC(Cl)C(C)(O)CCl
InChIInChI=1S/C5H10Cl2O/c1-4(7)5(2,8)3-6/h4,8H,3H2,1-2H3
InChIKeyRAWZQCXCBNJQFH-UHFFFAOYSA-N
XLogP1.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.04
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-methylpropan-2-ol;vanadium
CID 158704639
dichloromethane;2-methylpropan-2-ol
CID 18914702
(2S)-3-chloro-2-methylpropane-1,2-diol
CID 10866331
1,3-dichloro-2-methylbutane-2,3-diol
CID 130737307
(2R)-1-amino-2,3-dimethylbutan-2-ol
CID 51684116
2-chloro-1,1,1-trifluoroethane;2-methylpropane
CID 161109938
1-chloro-1-fluoroethane;dichloromethane;methanol
CID 174297915
1,1,1,2-tetrachloropropane
CID 87557158
1-chloro-2,2-dimethylpropane;zinc
CID 87488249
2,3-dimethyl(213C)butan-2-ol
CID 100985919
bis(1,1-dichloroethane);bis(1,2-dichloroethane)
CID 175329145
1,1,2-trichloroethanol
CID 14671512

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-methylbutan-2-ol?
The IUPAC name of 1,3-dichloro-2-methylbutan-2-ol (CID 55302434) is 1,3-dichloro-2-methylbutan-2-ol.
What is the SMILES notation for 1,3-dichloro-2-methylbutan-2-ol?
The canonical SMILES for 1,3-dichloro-2-methylbutan-2-ol is CC(Cl)C(C)(O)CCl.
What is the InChIKey of 1,3-dichloro-2-methylbutan-2-ol?
The InChIKey is RAWZQCXCBNJQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Cl2O/c1-4(7)5(2,8)3-6/h4,8H,3H2,1-2H3.
What are the key properties of 1,3-dichloro-2-methylbutan-2-ol?
1,3-dichloro-2-methylbutan-2-ol has a molecular weight of 157.04 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-methylbutan-2-ol is sourced from PubChem (CID 55302434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).