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

C10H20O3 — CID 178013766

IUPAC1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol;ethane
SMILESC=CC(O)C1COC(C)(C)O1.CC
InChIInChI=1S/C8H14O3.C2H6/c1-4-6(9)7-5-10-8(2,3)11-7;1-2/h4,6-7,9H,1,5H2,2-3H3;1-2H3
InChIKeySYWAIOQJENXLRB-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.71
Rot. Bonds2

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

1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol;ethane (PubChem CID 178013766) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol;ethane.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol;ethane
PubChem CID178013766
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol;ethane
SMILESC=CC(O)C1COC(C)(C)O1.CC
InChIInChI=1S/C8H14O3.C2H6/c1-4-6(9)7-5-10-8(2,3)11-7;1-2/h4,6-7,9H,1,5H2,2-3H3;1-2H3
InChIKeySYWAIOQJENXLRB-UHFFFAOYSA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.71
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

5-(2-Methyl-1,3-dioxolan-2-yl)pent-1-en-3-ol
CID 10057979
(1S)-1-[(4S,5S)-5-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10899994
(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]but-3-en-1-ol
CID 11321231
2,2-Dimethyl-alpha-2-propenyl-1,3-dioxolane-4-methanol
CID 12641532
(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10583056
[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 10607289
[(4R)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 14190096
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
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 10920969
(R)-1-((4R,5S)-2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-yl)ethane-1,2-diol
CID 11063164

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol;ethane?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol;ethane (CID 178013766) is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol;ethane.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol;ethane?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol;ethane is C=CC(O)C1COC(C)(C)O1.CC.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol;ethane?
The InChIKey is SYWAIOQJENXLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3.C2H6/c1-4-6(9)7-5-10-8(2,3)11-7;1-2/h4,6-7,9H,1,5H2,2-3H3;1-2H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol;ethane?
1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol;ethane has a molecular weight of 188.27 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol;ethane is sourced from PubChem (CID 178013766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).