2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol

C10H18O4 — CID 66587930

IUPAC2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol
SMILESC=CCOCC1COC(C)(CCO)O1
InChIInChI=1S/C10H18O4/c1-3-6-12-7-9-8-13-10(2,14-9)4-5-11/h3,9,11H,1,4-8H2,2H3
InChIKeyLESVWZWUDIFQSI-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.70
Rot. Bonds6

About 2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol

2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol (PubChem CID 66587930) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol.

Molecular Properties

Compound Name2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol
PubChem CID66587930
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol
SMILESC=CCOCC1COC(C)(CCO)O1
InChIInChI=1S/C10H18O4/c1-3-6-12-7-9-8-13-10(2,14-9)4-5-11/h3,9,11H,1,4-8H2,2H3
InChIKeyLESVWZWUDIFQSI-UHFFFAOYSA-N
XLogP0.70
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol with MolForge

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Related Compounds

4-[(Allyloxy)methyl]-2,2-dimethyl-1,3-dioxolane
CID 2780154
(4R,5S)-(2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-YL)methan-1-OL
CID 11051924
(4S)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1,3-dioxolane
CID 7003814
[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 11240632
4-[(Allyloxy)ethyl]-2,2-dimethyl-1,3-dioxolane
CID 11816293
(4R)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1,3-dioxolane
CID 7003813
[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 21579478
(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-prop-2-enoxyethanol
CID 162407928
[(4S,5S)-2,2-dimethyl-5-[[(E)-prop-1-enoxy]methyl]-1,3-dioxolan-4-yl]methanol
CID 178323993
3-(1-Hydroxy-1-prop-2-enoxypropan-2-yl)oxypropane-1,2-diol
CID 3024892
3-(1-((Allyloxy)-2-hydroxymethyl)ethoxy)propane-1,2-diol
CID 44153136
4-[2-(2-Prop-2-enoxypropoxy)ethoxy]butan-2-ol
CID 90476187

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol?
The IUPAC name of 2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol (CID 66587930) is 2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol.
What is the SMILES notation for 2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol?
The canonical SMILES for 2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol is C=CCOCC1COC(C)(CCO)O1.
What is the InChIKey of 2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol?
The InChIKey is LESVWZWUDIFQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-6-12-7-9-8-13-10(2,14-9)4-5-11/h3,9,11H,1,4-8H2,2H3.
What are the key properties of 2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol?
2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol has a molecular weight of 202.25 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]ethanol is sourced from PubChem (CID 66587930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).