1,1-dimethoxyethane;1-ethoxy-1-methoxyethane

C9H22O4 — CID 175467857

IUPAC1,1-dimethoxyethane;1-ethoxy-1-methoxyethane
SMILESCCOC(C)OC.COC(C)OC
InChIInChI=1S/C5H12O2.C4H10O2/c1-4-7-5(2)6-3;1-4(5-2)6-3/h5H,4H2,1-3H3;4H,1-3H3
InChIKeyYHJNHURJRVSEGM-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.64
Rot. Bonds5

About 1,1-dimethoxyethane;1-ethoxy-1-methoxyethane

1,1-dimethoxyethane;1-ethoxy-1-methoxyethane (PubChem CID 175467857) has the molecular formula C9H22O4 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1,1-dimethoxyethane;1-ethoxy-1-methoxyethane.

Molecular Properties

Compound Name1,1-dimethoxyethane;1-ethoxy-1-methoxyethane
PubChem CID175467857
Molecular FormulaC9H22O4
Molecular Weight194.27 g/mol
Exact Mass194.15
IUPAC Name1,1-dimethoxyethane;1-ethoxy-1-methoxyethane
SMILESCCOC(C)OC.COC(C)OC
InChIInChI=1S/C5H12O2.C4H10O2/c1-4-7-5(2)6-3;1-4(5-2)6-3/h5H,4H2,1-3H3;4H,1-3H3
InChIKeyYHJNHURJRVSEGM-UHFFFAOYSA-N
XLogP1.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 171374592
CID 171374592
1,1-diethoxyethane
CID 7765
1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane;sulfane
CID 87563963
1,1-dimethoxyethane chloride
CID 22648542
1,1-dimethoxyethane;hafnium
CID 159457910
cyclopropane;1,1-diethoxyethane
CID 67020569
1-ethoxy-1-[1-(1-ethoxyethoxymethoxy)ethoxymethoxy]ethane
CID 161169297
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
2-(1-ethoxyethoxy)-1-methoxyethanol
CID 87072895
1,4-bis(1-methoxyethoxy)butane
CID 20578725
1-methoxyethoxymethanol
CID 19047944

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyethane;1-ethoxy-1-methoxyethane?
The IUPAC name of 1,1-dimethoxyethane;1-ethoxy-1-methoxyethane (CID 175467857) is 1,1-dimethoxyethane;1-ethoxy-1-methoxyethane.
What is the SMILES notation for 1,1-dimethoxyethane;1-ethoxy-1-methoxyethane?
The canonical SMILES for 1,1-dimethoxyethane;1-ethoxy-1-methoxyethane is CCOC(C)OC.COC(C)OC.
What is the InChIKey of 1,1-dimethoxyethane;1-ethoxy-1-methoxyethane?
The InChIKey is YHJNHURJRVSEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.C4H10O2/c1-4-7-5(2)6-3;1-4(5-2)6-3/h5H,4H2,1-3H3;4H,1-3H3.
What are the key properties of 1,1-dimethoxyethane;1-ethoxy-1-methoxyethane?
1,1-dimethoxyethane;1-ethoxy-1-methoxyethane has a molecular weight of 194.27 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethane;1-ethoxy-1-methoxyethane is sourced from PubChem (CID 175467857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).