3,3-dichloropropan-1-ol;2-methoxy-2-methylpropane

C8H18Cl2O2 — CID 175391968

IUPAC3,3-dichloropropan-1-ol;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.OCCC(Cl)Cl
InChIInChI=1S/C5H12O.C3H6Cl2O/c1-5(2,3)6-4;4-3(5)1-2-6/h1-4H3;3,6H,1-2H2
InChIKeyQFZRMOFWJQEUGC-UHFFFAOYSA-N
MW217.14 g/mol
LogP2.60
Rot. Bonds2

About 3,3-dichloropropan-1-ol;2-methoxy-2-methylpropane

3,3-dichloropropan-1-ol;2-methoxy-2-methylpropane (PubChem CID 175391968) has the molecular formula C8H18Cl2O2 and a molecular weight of 217.14 g/mol. Its IUPAC name is 3,3-dichloropropan-1-ol;2-methoxy-2-methylpropane.

Molecular Properties

Compound Name3,3-dichloropropan-1-ol;2-methoxy-2-methylpropane
PubChem CID175391968
Molecular FormulaC8H18Cl2O2
Molecular Weight217.14 g/mol
Exact Mass216.07
IUPAC Name3,3-dichloropropan-1-ol;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.OCCC(Cl)Cl
InChIInChI=1S/C5H12O.C3H6Cl2O/c1-5(2,3)6-4;4-3(5)1-2-6/h1-4H3;3,6H,1-2H2
InChIKeyQFZRMOFWJQEUGC-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dichloromethane;methanol;2-methoxy-2-methylpropane
CID 87545382
3,3-dichloropropan-1-ol;2,2,2-trifluoroacetic acid
CID 87635558
2-methoxy-2-methylpropane;2,2,2-trifluoroethanol
CID 156562872
hydron;2-methoxy-2-methylpropane
CID 174107716
2-methoxy-2-methylpropane;hydrate
CID 23212559
(3R)-3-methyl-4-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 86735110
chloroform;3-methylbutan-1-ol
CID 173101838
3,4-ditert-butylhexane-1,6-diol
CID 174460247
ethane-1,2-diol;methoxymethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 22556407
3-(ethylamino)-5-methoxy-5-methylhexan-1-ol
CID 106676516
hydrazine;2-methoxy-2-methylpropane
CID 158568740
3-(3-methoxy-3-methylbutyl)sulfanylbutan-1-ol
CID 103034816

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloropropan-1-ol;2-methoxy-2-methylpropane?
The IUPAC name of 3,3-dichloropropan-1-ol;2-methoxy-2-methylpropane (CID 175391968) is 3,3-dichloropropan-1-ol;2-methoxy-2-methylpropane.
What is the SMILES notation for 3,3-dichloropropan-1-ol;2-methoxy-2-methylpropane?
The canonical SMILES for 3,3-dichloropropan-1-ol;2-methoxy-2-methylpropane is COC(C)(C)C.OCCC(Cl)Cl.
What is the InChIKey of 3,3-dichloropropan-1-ol;2-methoxy-2-methylpropane?
The InChIKey is QFZRMOFWJQEUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C3H6Cl2O/c1-5(2,3)6-4;4-3(5)1-2-6/h1-4H3;3,6H,1-2H2.
What are the key properties of 3,3-dichloropropan-1-ol;2-methoxy-2-methylpropane?
3,3-dichloropropan-1-ol;2-methoxy-2-methylpropane has a molecular weight of 217.14 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloropropan-1-ol;2-methoxy-2-methylpropane is sourced from PubChem (CID 175391968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).