1,2-diethoxyethane;bis(prop-2-enyl hydrogen carbonate)

C14H26O8 — CID 87594792

IUPAC1,2-diethoxyethane;bis(prop-2-enyl hydrogen carbonate)
SMILESC=CCOC(=O)O.C=CCOC(=O)O.CCOCCOCC
InChIInChI=1S/C6H14O2.2C4H6O3/c1-3-7-5-6-8-4-2;2*1-2-3-7-4(5)6/h3-6H2,1-2H3;2*2H,1,3H2,(H,5,6)
InChIKeyCCMDZZHIECCHIS-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.79
Rot. Bonds9

About 1,2-diethoxyethane;bis(prop-2-enyl hydrogen carbonate)

1,2-diethoxyethane;bis(prop-2-enyl hydrogen carbonate) (PubChem CID 87594792) has the molecular formula C14H26O8 and a molecular weight of 322.35 g/mol. Its IUPAC name is 1,2-diethoxyethane;bis(prop-2-enyl hydrogen carbonate).

Molecular Properties

Compound Name1,2-diethoxyethane;bis(prop-2-enyl hydrogen carbonate)
PubChem CID87594792
Molecular FormulaC14H26O8
Molecular Weight322.35 g/mol
Exact Mass322.16
IUPAC Name1,2-diethoxyethane;bis(prop-2-enyl hydrogen carbonate)
SMILESC=CCOC(=O)O.C=CCOC(=O)O.CCOCCOCC
InChIInChI=1S/C6H14O2.2C4H6O3/c1-3-7-5-6-8-4-2;2*1-2-3-7-4(5)6/h3-6H2,1-2H3;2*2H,1,3H2,(H,5,6)
InChIKeyCCMDZZHIECCHIS-UHFFFAOYSA-N
XLogP2.79
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl methyl carbonate;prop-2-enyl hydrogen carbonate
CID 174592666
2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate
CID 87661731
1,2-diethoxyethane;ethenamine
CID 160675526
acetic acid;1,2-diethoxyethane;ethane-1,2-diamine
CID 161203479
ethoxyethane;prop-2-enyl 2-methylprop-2-enoate
CID 87074537
carbonic acid;3-(2-prop-2-enoxyethoxy)prop-1-ene
CID 88663194
barium(2+);cadmium;hydride;hydroxymethanone;prop-2-enyl hydrogen carbonate
CID 173421940
2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid
CID 87934107
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89154469
2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid
CID 175424652
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
acetic acid;ethoxyethane;prop-1-ene
CID 87985609

Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxyethane;bis(prop-2-enyl hydrogen carbonate)?
The IUPAC name of 1,2-diethoxyethane;bis(prop-2-enyl hydrogen carbonate) (CID 87594792) is 1,2-diethoxyethane;bis(prop-2-enyl hydrogen carbonate).
What is the SMILES notation for 1,2-diethoxyethane;bis(prop-2-enyl hydrogen carbonate)?
The canonical SMILES for 1,2-diethoxyethane;bis(prop-2-enyl hydrogen carbonate) is C=CCOC(=O)O.C=CCOC(=O)O.CCOCCOCC.
What is the InChIKey of 1,2-diethoxyethane;bis(prop-2-enyl hydrogen carbonate)?
The InChIKey is CCMDZZHIECCHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.2C4H6O3/c1-3-7-5-6-8-4-2;2*1-2-3-7-4(5)6/h3-6H2,1-2H3;2*2H,1,3H2,(H,5,6).
What are the key properties of 1,2-diethoxyethane;bis(prop-2-enyl hydrogen carbonate)?
1,2-diethoxyethane;bis(prop-2-enyl hydrogen carbonate) has a molecular weight of 322.35 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxyethane;bis(prop-2-enyl hydrogen carbonate) is sourced from PubChem (CID 87594792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).