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

C7H12O3 — CID 11701054

IUPAC(4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methanol
SMILESC=CC1COC(C)(CO)O1
InChIInChI=1S/C7H12O3/c1-3-6-4-9-7(2,5-8)10-6/h3,6,8H,1,4-5H2,2H3
InChIKeyPORGGJDCTVNRMS-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.30
Rot. Bonds2

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

(4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methanol (PubChem CID 11701054) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methanol.

Molecular Properties

Compound Name(4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methanol
PubChem CID11701054
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methanol
SMILESC=CC1COC(C)(CO)O1
InChIInChI=1S/C7H12O3/c1-3-6-4-9-7(2,5-8)10-6/h3,6,8H,1,4-5H2,2H3
InChIKeyPORGGJDCTVNRMS-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
(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10583056
(4S)-4-ethenyl-2,2-dimethyl-1,3-dioxolane
CID 6950264
1-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
CID 10419437
1-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
CID 10920779
[(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

Frequently Asked Questions

What is the IUPAC name of (4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methanol?
The IUPAC name of (4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methanol (CID 11701054) is (4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methanol.
What is the SMILES notation for (4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methanol?
The canonical SMILES for (4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methanol is C=CC1COC(C)(CO)O1.
What is the InChIKey of (4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methanol?
The InChIKey is PORGGJDCTVNRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-6-4-9-7(2,5-8)10-6/h3,6,8H,1,4-5H2,2H3.
What are the key properties of (4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methanol?
(4-ethenyl-2-methyl-1,3-dioxolan-2-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 (4-ethenyl-2-methyl-1,3-dioxolan-2-yl)methanol is sourced from PubChem (CID 11701054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).