butan-1-ol;1,1,2,2-tetrachloroethene

C6H10Cl4O — CID 19764173

IUPACbutan-1-ol;1,1,2,2-tetrachloroethene
SMILESCCCCO.ClC(Cl)=C(Cl)Cl
InChIInChI=1S/C4H10O.C2Cl4/c1-2-3-4-5;3-1(4)2(5)6/h5H,2-4H2,1H3;
InChIKeyHWWGFKAXMBDMRR-UHFFFAOYSA-N
MW239.96 g/mol
LogP3.85
Rot. Bonds2

About butan-1-ol;1,1,2,2-tetrachloroethene

butan-1-ol;1,1,2,2-tetrachloroethene (PubChem CID 19764173) has the molecular formula C6H10Cl4O and a molecular weight of 239.96 g/mol. Its IUPAC name is butan-1-ol;1,1,2,2-tetrachloroethene.

Molecular Properties

Compound Namebutan-1-ol;1,1,2,2-tetrachloroethene
PubChem CID19764173
Molecular FormulaC6H10Cl4O
Molecular Weight239.96 g/mol
Exact Mass237.95
IUPAC Namebutan-1-ol;1,1,2,2-tetrachloroethene
SMILESCCCCO.ClC(Cl)=C(Cl)Cl
InChIInChI=1S/C4H10O.C2Cl4/c1-2-3-4-5;3-1(4)2(5)6/h5H,2-4H2,1H3;
InChIKeyHWWGFKAXMBDMRR-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.96
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 87109841
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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;1,1,2,2-tetrachloroethene?
The IUPAC name of butan-1-ol;1,1,2,2-tetrachloroethene (CID 19764173) is butan-1-ol;1,1,2,2-tetrachloroethene.
What is the SMILES notation for butan-1-ol;1,1,2,2-tetrachloroethene?
The canonical SMILES for butan-1-ol;1,1,2,2-tetrachloroethene is CCCCO.ClC(Cl)=C(Cl)Cl.
What is the InChIKey of butan-1-ol;1,1,2,2-tetrachloroethene?
The InChIKey is HWWGFKAXMBDMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2Cl4/c1-2-3-4-5;3-1(4)2(5)6/h5H,2-4H2,1H3;.
What are the key properties of butan-1-ol;1,1,2,2-tetrachloroethene?
butan-1-ol;1,1,2,2-tetrachloroethene has a molecular weight of 239.96 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;1,1,2,2-tetrachloroethene is sourced from PubChem (CID 19764173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).