dichloromethane;N,N-diethylethanamine;ethyl acetate;methanol

C12H29Cl2NO3 — CID 22169411

IUPACdichloromethane;N,N-diethylethanamine;ethyl acetate;methanol
SMILESCCN(CC)CC.CCOC(C)=O.CO.ClCCl
InChIInChI=1S/C6H15N.C4H8O2.CH2Cl2.CH4O/c1-4-7(5-2)6-3;1-3-6-4(2)5;2-1-3;1-2/h4-6H2,1-3H3;3H2,1-2H3;1H2;2H,1H3
InChIKeyDDRUIKNHNHCHOE-UHFFFAOYSA-N
MW306.27 g/mol
LogP2.95
Rot. Bonds4

About dichloromethane;N,N-diethylethanamine;ethyl acetate;methanol

dichloromethane;N,N-diethylethanamine;ethyl acetate;methanol (PubChem CID 22169411) has the molecular formula C12H29Cl2NO3 and a molecular weight of 306.27 g/mol. Its IUPAC name is dichloromethane;N,N-diethylethanamine;ethyl acetate;methanol.

Molecular Properties

Compound Namedichloromethane;N,N-diethylethanamine;ethyl acetate;methanol
PubChem CID22169411
Molecular FormulaC12H29Cl2NO3
Molecular Weight306.27 g/mol
Exact Mass305.15
IUPAC Namedichloromethane;N,N-diethylethanamine;ethyl acetate;methanol
SMILESCCN(CC)CC.CCOC(C)=O.CO.ClCCl
InChIInChI=1S/C6H15N.C4H8O2.CH2Cl2.CH4O/c1-4-7(5-2)6-3;1-3-6-4(2)5;2-1-3;1-2/h4-6H2,1-3H3;3H2,1-2H3;1H2;2H,1H3
InChIKeyDDRUIKNHNHCHOE-UHFFFAOYSA-N
XLogP2.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 174366150
(dichloromethane);ethyl acetate
CID 173005314
nonadecakis(dichloromethane);ethyl acetate
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ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
benzene;dichloromethane;ethyl acetate
CID 160802901
ethyl acetate;methanol;hydrate
CID 87229017
hexakis(dichloromethane);ethyl acetate;bis(hexane)
CID 173231857
ethane;ethyl acetate;urea
CID 142544694
chlorosulfanium;ethyl acetate
CID 22238075
ethyl acetate;pentahydrate
CID 173286699
ethyl acetate;octacontahydrate
CID 173077486

Frequently Asked Questions

What is the IUPAC name of dichloromethane;N,N-diethylethanamine;ethyl acetate;methanol?
The IUPAC name of dichloromethane;N,N-diethylethanamine;ethyl acetate;methanol (CID 22169411) is dichloromethane;N,N-diethylethanamine;ethyl acetate;methanol.
What is the SMILES notation for dichloromethane;N,N-diethylethanamine;ethyl acetate;methanol?
The canonical SMILES for dichloromethane;N,N-diethylethanamine;ethyl acetate;methanol is CCN(CC)CC.CCOC(C)=O.CO.ClCCl.
What is the InChIKey of dichloromethane;N,N-diethylethanamine;ethyl acetate;methanol?
The InChIKey is DDRUIKNHNHCHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H8O2.CH2Cl2.CH4O/c1-4-7(5-2)6-3;1-3-6-4(2)5;2-1-3;1-2/h4-6H2,1-3H3;3H2,1-2H3;1H2;2H,1H3.
What are the key properties of dichloromethane;N,N-diethylethanamine;ethyl acetate;methanol?
dichloromethane;N,N-diethylethanamine;ethyl acetate;methanol has a molecular weight of 306.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;N,N-diethylethanamine;ethyl acetate;methanol is sourced from PubChem (CID 22169411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).