2,2-dimethoxyethanol;prop-1-en-2-ol

C7H16O4 — CID 174630133

IUPAC2,2-dimethoxyethanol;prop-1-en-2-ol
SMILESC=C(C)O.COC(CO)OC
InChIInChI=1S/C4H10O3.C3H6O/c1-6-4(3-5)7-2;1-3(2)4/h4-5H,3H2,1-2H3;4H,1H2,2H3
InChIKeyHYRZDERUXPWUFC-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.68
Rot. Bonds3

About 2,2-dimethoxyethanol;prop-1-en-2-ol

2,2-dimethoxyethanol;prop-1-en-2-ol (PubChem CID 174630133) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2,2-dimethoxyethanol;prop-1-en-2-ol.

Molecular Properties

Compound Name2,2-dimethoxyethanol;prop-1-en-2-ol
PubChem CID174630133
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Name2,2-dimethoxyethanol;prop-1-en-2-ol
SMILESC=C(C)O.COC(CO)OC
InChIInChI=1S/C4H10O3.C3H6O/c1-6-4(3-5)7-2;1-3(2)4/h4-5H,3H2,1-2H3;4H,1H2,2H3
InChIKeyHYRZDERUXPWUFC-UHFFFAOYSA-N
XLogP0.68
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dimethoxymethyl dihydroxyethylene
CID 73674281
(Z)-3,3-dimethoxyprop-1-ene-1,2-diol
CID 20277923
2-(Prop-1-en-2-yloxymethoxy)ethanol
CID 21053381
1,3-Dioxolan-2-ylmethanol;2-prop-1-en-2-yloxyprop-1-ene
CID 174478597
2,2-Dimethoxyethanol;prop-1-ene
CID 174630138

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyethanol;prop-1-en-2-ol?
The IUPAC name of 2,2-dimethoxyethanol;prop-1-en-2-ol (CID 174630133) is 2,2-dimethoxyethanol;prop-1-en-2-ol.
What is the SMILES notation for 2,2-dimethoxyethanol;prop-1-en-2-ol?
The canonical SMILES for 2,2-dimethoxyethanol;prop-1-en-2-ol is C=C(C)O.COC(CO)OC.
What is the InChIKey of 2,2-dimethoxyethanol;prop-1-en-2-ol?
The InChIKey is HYRZDERUXPWUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.C3H6O/c1-6-4(3-5)7-2;1-3(2)4/h4-5H,3H2,1-2H3;4H,1H2,2H3.
What are the key properties of 2,2-dimethoxyethanol;prop-1-en-2-ol?
2,2-dimethoxyethanol;prop-1-en-2-ol has a molecular weight of 164.20 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethanol;prop-1-en-2-ol is sourced from PubChem (CID 174630133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).