acetic acid;1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol

C10H18O5 — CID 71435688

IUPACacetic acid;1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
SMILESC=CC(O)C1COC(C)(C)O1.CC(=O)O
InChIInChI=1S/C8H14O3.C2H4O2/c1-4-6(9)7-5-10-8(2,3)11-7;1-2(3)4/h4,6-7,9H,1,5H2,2-3H3;1H3,(H,3,4)
InChIKeyFMRNVQYIZYACEK-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.78
Rot. Bonds2

About acetic acid;1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol

acetic acid;1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol (PubChem CID 71435688) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is acetic acid;1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Nameacetic acid;1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
PubChem CID71435688
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Nameacetic acid;1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
SMILESC=CC(O)C1COC(C)(C)O1.CC(=O)O
InChIInChI=1S/C8H14O3.C2H4O2/c1-4-6(9)7-5-10-8(2,3)11-7;1-2(3)4/h4,6-7,9H,1,5H2,2-3H3;1H3,(H,3,4)
InChIKeyFMRNVQYIZYACEK-UHFFFAOYSA-N
XLogP0.78
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde
CID 129075073
(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxybut-3-en-2-one
CID 10773890
(1R,2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbut-3-en-1-ol
CID 13428079
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetamide
CID 13388534
(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653
methyl (2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-4-enoate
CID 14381476
3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanal
CID 12641543
bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 4047032
methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enoate
CID 12927276
potassium (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate
CID 165430844
3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanoic acid
CID 70971511
2-chloro-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanoic acid
CID 175078711

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol?
The IUPAC name of acetic acid;1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol (CID 71435688) is acetic acid;1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol.
What is the SMILES notation for acetic acid;1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol?
The canonical SMILES for acetic acid;1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol is C=CC(O)C1COC(C)(C)O1.CC(=O)O.
What is the InChIKey of acetic acid;1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol?
The InChIKey is FMRNVQYIZYACEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3.C2H4O2/c1-4-6(9)7-5-10-8(2,3)11-7;1-2(3)4/h4,6-7,9H,1,5H2,2-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol?
acetic acid;1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol has a molecular weight of 218.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 71435688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).