1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenol

C7H12O3 — CID 129211418

IUPAC1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenol
SMILESC=C(O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C7H12O3/c1-5(8)6-4-9-7(2,3)10-6/h6,8H,1,4H2,2-3H3/t6-/m1/s1
InChIKeyJYJQBDNJWFYQJN-ZCFIWIBFSA-N
MW144.17 g/mol
LogP1.21
Rot. Bonds1

About 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenol

1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenol (PubChem CID 129211418) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenol.

Molecular Properties

Compound Name1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenol
PubChem CID129211418
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenol
SMILESC=C(O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C7H12O3/c1-5(8)6-4-9-7(2,3)10-6/h6,8H,1,4H2,2-3H3/t6-/m1/s1
InChIKeyJYJQBDNJWFYQJN-ZCFIWIBFSA-N
XLogP1.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-(2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-YL)methan-1-OL
CID 11051924
[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 11240632
[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 21579478
(4-Ethenyl-2-methyl-1,3-dioxolan-2-yl)methanol
CID 11701054
(5-Ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 13550240
(2-Ethenyl-2-methyl-1,3-dioxolan-4-yl)methanol
CID 69423091
4-(1-Hydroxyethenyl)-1,3-dioxolan-2-one
CID 69620606
[4-Ethenyl-2-(hydroxymethyl)-1,3-dioxolan-2-yl]methanol
CID 69983179
4-Ethenyl-2-prop-2-enyl-1,3-dioxolan-2-ol
CID 87747392
(2,2-Dimethyl-5-methylidene-1,3-dioxolan-4-yl)methanol
CID 121296933
1-[(4S,5R)-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]ethenol
CID 143071457
4-(1-Hydroxyethenyl)-2-methyl-1,3-dioxolan-2-ol
CID 163811343

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenol?
The IUPAC name of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenol (CID 129211418) is 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenol.
What is the SMILES notation for 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenol?
The canonical SMILES for 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenol is C=C(O)[C@H]1COC(C)(C)O1.
What is the InChIKey of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenol?
The InChIKey is JYJQBDNJWFYQJN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12O3/c1-5(8)6-4-9-7(2,3)10-6/h6,8H,1,4H2,2-3H3/t6-/m1/s1.
What are the key properties of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenol?
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenol has a molecular weight of 144.17 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenol is sourced from PubChem (CID 129211418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).