dichloromethane;hexane;oxolane

C11H24Cl2O — CID 19387301

IUPACdichloromethane;hexane;oxolane
SMILESC1CCOC1.CCCCCC.ClCCl
InChIInChI=1S/C6H14.C4H8O.CH2Cl2/c1-3-5-6-4-2;1-2-4-5-3-1;2-1-3/h3-6H2,1-2H3;1-4H2;1H2
InChIKeyHBYIXAAQXOVZGG-UHFFFAOYSA-N
MW243.22 g/mol
LogP4.80
Rot. Bonds3

About dichloromethane;hexane;oxolane

dichloromethane;hexane;oxolane (PubChem CID 19387301) has the molecular formula C11H24Cl2O and a molecular weight of 243.22 g/mol. Its IUPAC name is dichloromethane;hexane;oxolane.

Molecular Properties

Compound Namedichloromethane;hexane;oxolane
PubChem CID19387301
Molecular FormulaC11H24Cl2O
Molecular Weight243.22 g/mol
Exact Mass242.12
IUPAC Namedichloromethane;hexane;oxolane
SMILESC1CCOC1.CCCCCC.ClCCl
InChIInChI=1S/C6H14.C4H8O.CH2Cl2/c1-3-5-6-4-2;1-2-4-5-3-1;2-1-3/h3-6H2,1-2H3;1-4H2;1H2
InChIKeyHBYIXAAQXOVZGG-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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CID 159740735
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CID 86588588
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1,4-dioxane;tetradecane
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decan-1-ol;oxolane;hydrate
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dodecan-1-ol;methanol;oxolane
CID 174811054
butan-1-ol;oxolane;hydrate
CID 68989617
butylazanium;oxolane;fluoride
CID 67136632
1-butoxybutane;oxane
CID 22595543
1,4-dioxane;1-pentoxypentane
CID 174356603
ethylbenzene;hexane;oxolane
CID 86585711
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CID 162141084

Frequently Asked Questions

What is the IUPAC name of dichloromethane;hexane;oxolane?
The IUPAC name of dichloromethane;hexane;oxolane (CID 19387301) is dichloromethane;hexane;oxolane.
What is the SMILES notation for dichloromethane;hexane;oxolane?
The canonical SMILES for dichloromethane;hexane;oxolane is C1CCOC1.CCCCCC.ClCCl.
What is the InChIKey of dichloromethane;hexane;oxolane?
The InChIKey is HBYIXAAQXOVZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C4H8O.CH2Cl2/c1-3-5-6-4-2;1-2-4-5-3-1;2-1-3/h3-6H2,1-2H3;1-4H2;1H2.
What are the key properties of dichloromethane;hexane;oxolane?
dichloromethane;hexane;oxolane has a molecular weight of 243.22 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;hexane;oxolane is sourced from PubChem (CID 19387301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).