carbonic acid;1,1-diethoxyethane

C7H16O5 — CID 87827362

IUPACcarbonic acid;1,1-diethoxyethane
SMILESCCOC(C)OCC.O=C(O)O
InChIInChI=1S/C6H14O2.CH2O3/c1-4-7-6(3)8-5-2;2-1(3)4/h6H,4-5H2,1-3H3;(H2,2,3,4)
InChIKeyUYQYFWOGGDWPIZ-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.63
Rot. Bonds4

About carbonic acid;1,1-diethoxyethane

carbonic acid;1,1-diethoxyethane (PubChem CID 87827362) has the molecular formula C7H16O5 and a molecular weight of 180.20 g/mol. Its IUPAC name is carbonic acid;1,1-diethoxyethane.

Molecular Properties

Compound Namecarbonic acid;1,1-diethoxyethane
PubChem CID87827362
Molecular FormulaC7H16O5
Molecular Weight180.20 g/mol
Exact Mass180.10
IUPAC Namecarbonic acid;1,1-diethoxyethane
SMILESCCOC(C)OCC.O=C(O)O
InChIInChI=1S/C6H14O2.CH2O3/c1-4-7-6(3)8-5-2;2-1(3)4/h6H,4-5H2,1-3H3;(H2,2,3,4)
InChIKeyUYQYFWOGGDWPIZ-UHFFFAOYSA-N
XLogP1.63
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxyethane
CID 7765
1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane;sulfane
CID 87563963
1-ethoxy-1-[1-(1-ethoxyethoxymethoxy)ethoxymethoxy]ethane
CID 161169297
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
cyclopropane;1,1-diethoxyethane
CID 67020569
1,1-diethoxyethane;ethenyl acetate
CID 88506327
1,1-diethoxyethane;(1E)-1-hydroxyiminopropan-2-one
CID 88690557
1-(1-ethoxyethoxy)ethyl carbamate
CID 175609517
acetaldehyde;butane;1,1-diethoxyethane
CID 87162704
carbonic acid;2-ethoxypropane-1,3-diol
CID 175422223
2-ethoxypropanoic acid;methane
CID 160636954

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1,1-diethoxyethane?
The IUPAC name of carbonic acid;1,1-diethoxyethane (CID 87827362) is carbonic acid;1,1-diethoxyethane.
What is the SMILES notation for carbonic acid;1,1-diethoxyethane?
The canonical SMILES for carbonic acid;1,1-diethoxyethane is CCOC(C)OCC.O=C(O)O.
What is the InChIKey of carbonic acid;1,1-diethoxyethane?
The InChIKey is UYQYFWOGGDWPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.CH2O3/c1-4-7-6(3)8-5-2;2-1(3)4/h6H,4-5H2,1-3H3;(H2,2,3,4).
What are the key properties of carbonic acid;1,1-diethoxyethane?
carbonic acid;1,1-diethoxyethane has a molecular weight of 180.20 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1,1-diethoxyethane is sourced from PubChem (CID 87827362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).