chloroform;ethoxyethane;hexane;methanol

C12H29Cl3O2 — CID 173390490

IUPACchloroform;ethoxyethane;hexane;methanol
SMILESCCCCCC.CCOCC.CO.ClC(Cl)Cl
InChIInChI=1S/C6H14.C4H10O.CHCl3.CH4O/c1-3-5-6-4-2;1-3-5-4-2;2-1(3)4;1-2/h3-6H2,1-2H3;3-4H2,1-2H3;1H;2H,1H3
InChIKeyXKCVOWOMZDJTGQ-UHFFFAOYSA-N
MW311.72 g/mol
LogP5.22
Rot. Bonds5

About chloroform;ethoxyethane;hexane;methanol

chloroform;ethoxyethane;hexane;methanol (PubChem CID 173390490) has the molecular formula C12H29Cl3O2 and a molecular weight of 311.72 g/mol. Its IUPAC name is chloroform;ethoxyethane;hexane;methanol.

Molecular Properties

Compound Namechloroform;ethoxyethane;hexane;methanol
PubChem CID173390490
Molecular FormulaC12H29Cl3O2
Molecular Weight311.72 g/mol
Exact Mass310.12
IUPAC Namechloroform;ethoxyethane;hexane;methanol
SMILESCCCCCC.CCOCC.CO.ClC(Cl)Cl
InChIInChI=1S/C6H14.C4H10O.CHCl3.CH4O/c1-3-5-6-4-2;1-3-5-4-2;2-1(3)4;1-2/h3-6H2,1-2H3;3-4H2,1-2H3;1H;2H,1H3
InChIKeyXKCVOWOMZDJTGQ-UHFFFAOYSA-N
XLogP5.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.72
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azanium;chloroform;ethoxyethane;methanol;hydroxide
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ethoxyethane;hexane;2-propan-2-yloxypropane
CID 87119579
ethoxyethane;tridecan-1-ol
CID 87091597
ethoxyethane;1,1,2,2-tetrachloroethane
CID 174880483
chloroform;pentane
CID 19858055
2,2-dichloroethanol;ethoxyethane
CID 22662862
dichloromethane;ethoxyethane;methanol;hydrochloride
CID 131723053
butane;ethoxyethane;methane;pentane
CID 158883576
chloroform;ethanol;ethyl acetate;hexane
CID 158070292
methanol;undecane
CID 161373911
hexane;hypochlorous acid
CID 88775298

Frequently Asked Questions

What is the IUPAC name of chloroform;ethoxyethane;hexane;methanol?
The IUPAC name of chloroform;ethoxyethane;hexane;methanol (CID 173390490) is chloroform;ethoxyethane;hexane;methanol.
What is the SMILES notation for chloroform;ethoxyethane;hexane;methanol?
The canonical SMILES for chloroform;ethoxyethane;hexane;methanol is CCCCCC.CCOCC.CO.ClC(Cl)Cl.
What is the InChIKey of chloroform;ethoxyethane;hexane;methanol?
The InChIKey is XKCVOWOMZDJTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C4H10O.CHCl3.CH4O/c1-3-5-6-4-2;1-3-5-4-2;2-1(3)4;1-2/h3-6H2,1-2H3;3-4H2,1-2H3;1H;2H,1H3.
What are the key properties of chloroform;ethoxyethane;hexane;methanol?
chloroform;ethoxyethane;hexane;methanol has a molecular weight of 311.72 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;ethoxyethane;hexane;methanol is sourced from PubChem (CID 173390490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).