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

C14H34N2O9 — CID 162110853

IUPACacetic acid;ethane-1,2-diamine;ethoxyethane
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCOCC.NCCN
InChIInChI=1S/C4H10O.C2H8N2.4C2H4O2/c1-3-5-4-2;3-1-2-4;4*1-2(3)4/h3-4H2,1-2H3;1-4H2;4*1H3,(H,3,4)
InChIKeyDKKYXBULHKBQSD-UHFFFAOYSA-N
MW374.43 g/mol
LogP0.31
Rot. Bonds3

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

acetic acid;ethane-1,2-diamine;ethoxyethane (PubChem CID 162110853) has the molecular formula C14H34N2O9 and a molecular weight of 374.43 g/mol. Its IUPAC name is acetic acid;ethane-1,2-diamine;ethoxyethane.

Molecular Properties

Compound Nameacetic acid;ethane-1,2-diamine;ethoxyethane
PubChem CID162110853
Molecular FormulaC14H34N2O9
Molecular Weight374.43 g/mol
Exact Mass374.23
IUPAC Nameacetic acid;ethane-1,2-diamine;ethoxyethane
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCOCC.NCCN
InChIInChI=1S/C4H10O.C2H8N2.4C2H4O2/c1-3-5-4-2;3-1-2-4;4*1-2(3)4/h3-4H2,1-2H3;1-4H2;4*1H3,(H,3,4)
InChIKeyDKKYXBULHKBQSD-UHFFFAOYSA-N
XLogP0.31
TPSA210.47 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.43
LogP ≤ 50.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 161203479
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acetic acid;ethane-1,2-diamine;λ2-plumbane
CID 173443491
CID 160895097
CID 160895097
acetic acid;chromium;ethane-1,2-diamine
CID 157437445
acetic acid;bis(ethane-1,2-diamine);propanoic acid
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acetic acid;ethoxyethane;prop-1-ene
CID 87985609
acetic acid;butane-2,3-diol;ethoxyethane
CID 174725682
tetrapotassium;acetic acid;ethane-1,2-diamine;hydride
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CID 161328323
CID 161328323
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Frequently Asked Questions

What is the IUPAC name of acetic acid;ethane-1,2-diamine;ethoxyethane?
The IUPAC name of acetic acid;ethane-1,2-diamine;ethoxyethane (CID 162110853) is acetic acid;ethane-1,2-diamine;ethoxyethane.
What is the SMILES notation for acetic acid;ethane-1,2-diamine;ethoxyethane?
The canonical SMILES for acetic acid;ethane-1,2-diamine;ethoxyethane is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCOCC.NCCN.
What is the InChIKey of acetic acid;ethane-1,2-diamine;ethoxyethane?
The InChIKey is DKKYXBULHKBQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H8N2.4C2H4O2/c1-3-5-4-2;3-1-2-4;4*1-2(3)4/h3-4H2,1-2H3;1-4H2;4*1H3,(H,3,4).
What are the key properties of acetic acid;ethane-1,2-diamine;ethoxyethane?
acetic acid;ethane-1,2-diamine;ethoxyethane has a molecular weight of 374.43 g/mol, XLogP of 0.31, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethane-1,2-diamine;ethoxyethane is sourced from PubChem (CID 162110853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).