2,2-dimethoxyethanol;prop-1-ene

C7H16O3 — CID 174630138

IUPAC2,2-dimethoxyethanol;prop-1-ene
SMILESC=CC.COC(CO)OC
InChIInChI=1S/C4H10O3.C3H6/c1-6-4(3-5)7-2;1-3-2/h4-5H,3H2,1-2H3;3H,1H2,2H3
InChIKeyVPAFOGXBKQXLAL-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.79
Rot. Bonds3

About 2,2-dimethoxyethanol;prop-1-ene

2,2-dimethoxyethanol;prop-1-ene (PubChem CID 174630138) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 2,2-dimethoxyethanol;prop-1-ene.

Molecular Properties

Compound Name2,2-dimethoxyethanol;prop-1-ene
PubChem CID174630138
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name2,2-dimethoxyethanol;prop-1-ene
SMILESC=CC.COC(CO)OC
InChIInChI=1S/C4H10O3.C3H6/c1-6-4(3-5)7-2;1-3-2/h4-5H,3H2,1-2H3;3H,1H2,2H3
InChIKeyVPAFOGXBKQXLAL-UHFFFAOYSA-N
XLogP0.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-Diethoxyethane;2-methoxyethanol;prop-1-ene
CID 87824551
2-Methoxyethanol;1-methoxypropan-1-ol;prop-1-ene
CID 89997147
2-Methoxy-2-prop-1-enoxyethanol
CID 139817184
2-[2-(2-Ethenoxy-2-prop-1-enoxyethoxy)ethoxy]ethanol
CID 140975666
1-Prop-1-enoxyethane-1,2-diol
CID 141199363
2-Ethoxy-1-prop-1-enoxyethanol
CID 151265021
1-Butoxy-1-methoxypropan-2-ol;prop-1-ene
CID 156476135
2-[2-(2-Hydroxyethoxy)ethoxy]-1-methoxyethanol;prop-1-ene
CID 159073140
2,2-Dimethoxyethanol;prop-1-en-2-ol
CID 174630133
2,2-Dimethoxyethanol;ethene
CID 174913157

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyethanol;prop-1-ene?
The IUPAC name of 2,2-dimethoxyethanol;prop-1-ene (CID 174630138) is 2,2-dimethoxyethanol;prop-1-ene.
What is the SMILES notation for 2,2-dimethoxyethanol;prop-1-ene?
The canonical SMILES for 2,2-dimethoxyethanol;prop-1-ene is C=CC.COC(CO)OC.
What is the InChIKey of 2,2-dimethoxyethanol;prop-1-ene?
The InChIKey is VPAFOGXBKQXLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.C3H6/c1-6-4(3-5)7-2;1-3-2/h4-5H,3H2,1-2H3;3H,1H2,2H3.
What are the key properties of 2,2-dimethoxyethanol;prop-1-ene?
2,2-dimethoxyethanol;prop-1-ene has a molecular weight of 148.20 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethanol;prop-1-ene is sourced from PubChem (CID 174630138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).