(2-ethenyl-2-methyl-1,3-dioxolan-4-yl)methanol

C7H12O3 — CID 69423091

IUPAC(2-ethenyl-2-methyl-1,3-dioxolan-4-yl)methanol
SMILESC=CC1(C)OCC(CO)O1
InChIInChI=1S/C7H12O3/c1-3-7(2)9-5-6(4-8)10-7/h3,6,8H,1,4-5H2,2H3
InChIKeyANDVFJQUZNEKRC-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.30
Rot. Bonds2

About (2-ethenyl-2-methyl-1,3-dioxolan-4-yl)methanol

(2-ethenyl-2-methyl-1,3-dioxolan-4-yl)methanol (PubChem CID 69423091) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2-ethenyl-2-methyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-ethenyl-2-methyl-1,3-dioxolan-4-yl)methanol
PubChem CID69423091
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(2-ethenyl-2-methyl-1,3-dioxolan-4-yl)methanol
SMILESC=CC1(C)OCC(CO)O1
InChIInChI=1S/C7H12O3/c1-3-7(2)9-5-6(4-8)10-7/h3,6,8H,1,4-5H2,2H3
InChIKeyANDVFJQUZNEKRC-UHFFFAOYSA-N
XLogP0.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dioxolane-4-methanol, 2-ethenyl-, cis-
CID 545210
[(2S,4S)-2-ethenyl-1,3-dioxolan-4-yl]methanol
CID 21116083
[(2r,4s)-2-Ethenyl-1,3-dioxolan-4-yl]methanol
CID 85272
1,3-Dioxolane-4-methanol, 2-ethenyl-, trans-
CID 85273
cis-2-Vinyl-1,3-dioxolane-4-methanol
CID 21116082
(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
2-Methyl-2-allyl-4-methylol-1,3-dioxolane
CID 69674767
2-Ethenyl-2,4-dimethyl-1,3-dioxolane
CID 287974
[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 21579478
(4-Ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 10374690
1,3-Dioxolane, 2-ethenyl-2,4-dimethyl-, trans-
CID 14818495

Frequently Asked Questions

What is the IUPAC name of (2-ethenyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-ethenyl-2-methyl-1,3-dioxolan-4-yl)methanol (CID 69423091) is (2-ethenyl-2-methyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-ethenyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-ethenyl-2-methyl-1,3-dioxolan-4-yl)methanol is C=CC1(C)OCC(CO)O1.
What is the InChIKey of (2-ethenyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is ANDVFJQUZNEKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-7(2)9-5-6(4-8)10-7/h3,6,8H,1,4-5H2,2H3.
What are the key properties of (2-ethenyl-2-methyl-1,3-dioxolan-4-yl)methanol?
(2-ethenyl-2-methyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 144.17 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyl-2-methyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 69423091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).