methanol;1,1,1-trichloropropane

C4H9Cl3O — CID 160733692

IUPACmethanol;1,1,1-trichloropropane
SMILESCCC(Cl)(Cl)Cl.CO
InChIInChI=1S/C3H5Cl3.CH4O/c1-2-3(4,5)6;1-2/h2H2,1H3;2H,1H3
InChIKeyRURDYBNEVBSHHW-UHFFFAOYSA-N
MW179.47 g/mol
LogP2.38
Rot. Bonds

About methanol;1,1,1-trichloropropane

methanol;1,1,1-trichloropropane (PubChem CID 160733692) has the molecular formula C4H9Cl3O and a molecular weight of 179.47 g/mol. Its IUPAC name is methanol;1,1,1-trichloropropane.

Molecular Properties

Compound Namemethanol;1,1,1-trichloropropane
PubChem CID160733692
Molecular FormulaC4H9Cl3O
Molecular Weight179.47 g/mol
Exact Mass177.97
IUPAC Namemethanol;1,1,1-trichloropropane
SMILESCCC(Cl)(Cl)Cl.CO
InChIInChI=1S/C3H5Cl3.CH4O/c1-2-3(4,5)6;1-2/h2H2,1H3;2H,1H3
InChIKeyRURDYBNEVBSHHW-UHFFFAOYSA-N
XLogP2.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.47
LogP ≤ 52.38
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

1,1,1-trichloropropane;trihydrochloride
CID 175077591
dichloromethane;1,1,1-trichloropropane
CID 23328703
2-chloro-2-methylbutane;methanol
CID 88619841
acetic acid;bis(1,1,1-trichloropropane)
CID 173372937
acetic acid;1,1,1-trichloropropane
CID 173429794
1,1,2-trichloroethene;1,1,1-trichloropropane
CID 19861673
1,1,2,2-tetrachloroethane;1,1,1-trichloropropane
CID 18956861
1-chloro-1-iodopropan-1-ol
CID 23322646
ethanol;tetrachloromethane
CID 23446399
4,4-dichlorohexan-1-ol
CID 163217202
alumane;2,2-dichlorobutane
CID 173433113
3-ethyl-3-methylpentane;methanol
CID 143799596

Frequently Asked Questions

What is the IUPAC name of methanol;1,1,1-trichloropropane?
The IUPAC name of methanol;1,1,1-trichloropropane (CID 160733692) is methanol;1,1,1-trichloropropane.
What is the SMILES notation for methanol;1,1,1-trichloropropane?
The canonical SMILES for methanol;1,1,1-trichloropropane is CCC(Cl)(Cl)Cl.CO.
What is the InChIKey of methanol;1,1,1-trichloropropane?
The InChIKey is RURDYBNEVBSHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl3.CH4O/c1-2-3(4,5)6;1-2/h2H2,1H3;2H,1H3.
What are the key properties of methanol;1,1,1-trichloropropane?
methanol;1,1,1-trichloropropane has a molecular weight of 179.47 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1,1,1-trichloropropane is sourced from PubChem (CID 160733692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).