acetic acid;1,2-diethoxyethane;ethane-1,2-diamine

C16H38N2O10 — CID 161203479

IUPACacetic acid;1,2-diethoxyethane;ethane-1,2-diamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCOCCOCC.NCCN
InChIInChI=1S/C6H14O2.C2H8N2.4C2H4O2/c1-3-7-5-6-8-4-2;3-1-2-4;4*1-2(3)4/h3-6H2,1-2H3;1-4H2;4*1H3,(H,3,4)
InChIKeyUVHHJQRNDQZYLE-UHFFFAOYSA-N
MW418.48 g/mol
LogP0.33
Rot. Bonds6

About acetic acid;1,2-diethoxyethane;ethane-1,2-diamine

acetic acid;1,2-diethoxyethane;ethane-1,2-diamine (PubChem CID 161203479) has the molecular formula C16H38N2O10 and a molecular weight of 418.48 g/mol. Its IUPAC name is acetic acid;1,2-diethoxyethane;ethane-1,2-diamine.

Molecular Properties

Compound Nameacetic acid;1,2-diethoxyethane;ethane-1,2-diamine
PubChem CID161203479
Molecular FormulaC16H38N2O10
Molecular Weight418.48 g/mol
Exact Mass418.25
IUPAC Nameacetic acid;1,2-diethoxyethane;ethane-1,2-diamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCOCCOCC.NCCN
InChIInChI=1S/C6H14O2.C2H8N2.4C2H4O2/c1-3-7-5-6-8-4-2;3-1-2-4;4*1-2(3)4/h3-6H2,1-2H3;1-4H2;4*1H3,(H,3,4)
InChIKeyUVHHJQRNDQZYLE-UHFFFAOYSA-N
XLogP0.33
TPSA219.70 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.48
LogP ≤ 50.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;ethane-1,2-diamine;ethoxyethane
CID 162110853
acetic acid;ethane-1,2-diamine;ytterbium
CID 158635793
acetic acid;copper;ethane-1,2-diamine
CID 88782929
acetic acid;ethane-1,2-diamine;λ2-plumbane
CID 173443491
acetic acid;chromium;ethane-1,2-diamine
CID 157437445
CID 160895097
CID 160895097
acetic acid;bis(ethane-1,2-diamine);propanoic acid
CID 173315141
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
acetic acid;ethane-1,2-diamine;lanthanum;terbium
CID 174691220
tetrapotassium;acetic acid;ethane-1,2-diamine;hydride
CID 173066017
CID 161328323
CID 161328323

Frequently Asked Questions

What is the IUPAC name of acetic acid;1,2-diethoxyethane;ethane-1,2-diamine?
The IUPAC name of acetic acid;1,2-diethoxyethane;ethane-1,2-diamine (CID 161203479) is acetic acid;1,2-diethoxyethane;ethane-1,2-diamine.
What is the SMILES notation for acetic acid;1,2-diethoxyethane;ethane-1,2-diamine?
The canonical SMILES for acetic acid;1,2-diethoxyethane;ethane-1,2-diamine is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCOCCOCC.NCCN.
What is the InChIKey of acetic acid;1,2-diethoxyethane;ethane-1,2-diamine?
The InChIKey is UVHHJQRNDQZYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C2H8N2.4C2H4O2/c1-3-7-5-6-8-4-2;3-1-2-4;4*1-2(3)4/h3-6H2,1-2H3;1-4H2;4*1H3,(H,3,4).
What are the key properties of acetic acid;1,2-diethoxyethane;ethane-1,2-diamine?
acetic acid;1,2-diethoxyethane;ethane-1,2-diamine has a molecular weight of 418.48 g/mol, XLogP of 0.33, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,2-diethoxyethane;ethane-1,2-diamine is sourced from PubChem (CID 161203479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).