dichloromethane;heptane;hydrate

C8H20Cl2O — CID 19689114

IUPACdichloromethane;heptane;hydrate
SMILESCCCCCCC.ClCCl.O
InChIInChI=1S/C7H16.CH2Cl2.H2O/c1-3-5-7-6-4-2;2-1-3;/h3-7H2,1-2H3;1H2;1H2
InChIKeyGEFKLQCNYKSPOM-UHFFFAOYSA-N
MW203.15 g/mol
LogP3.57
Rot. Bonds4

About dichloromethane;heptane;hydrate

dichloromethane;heptane;hydrate (PubChem CID 19689114) has the molecular formula C8H20Cl2O and a molecular weight of 203.15 g/mol. Its IUPAC name is dichloromethane;heptane;hydrate.

Molecular Properties

Compound Namedichloromethane;heptane;hydrate
PubChem CID19689114
Molecular FormulaC8H20Cl2O
Molecular Weight203.15 g/mol
Exact Mass202.09
IUPAC Namedichloromethane;heptane;hydrate
SMILESCCCCCCC.ClCCl.O
InChIInChI=1S/C7H16.CH2Cl2.H2O/c1-3-5-7-6-4-2;2-1-3;/h3-7H2,1-2H3;1H2;1H2
InChIKeyGEFKLQCNYKSPOM-UHFFFAOYSA-N
XLogP3.57
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

heptane;hydrate
CID 57468513
azane;1-chlorohexadecane;hydrate
CID 174801150
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexane;tetrahydrate
CID 174107213
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341

Frequently Asked Questions

What is the IUPAC name of dichloromethane;heptane;hydrate?
The IUPAC name of dichloromethane;heptane;hydrate (CID 19689114) is dichloromethane;heptane;hydrate.
What is the SMILES notation for dichloromethane;heptane;hydrate?
The canonical SMILES for dichloromethane;heptane;hydrate is CCCCCCC.ClCCl.O.
What is the InChIKey of dichloromethane;heptane;hydrate?
The InChIKey is GEFKLQCNYKSPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.CH2Cl2.H2O/c1-3-5-7-6-4-2;2-1-3;/h3-7H2,1-2H3;1H2;1H2.
What are the key properties of dichloromethane;heptane;hydrate?
dichloromethane;heptane;hydrate has a molecular weight of 203.15 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;heptane;hydrate is sourced from PubChem (CID 19689114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).