(4S,5S)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane

C10H18O2 — CID 54577276

IUPAC(4S,5S)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane
SMILESC=C[C@]1(C)OC(C)(C)O[C@H]1CC
InChIInChI=1S/C10H18O2/c1-6-8-10(5,7-2)12-9(3,4)11-8/h7-8H,2,6H2,1,3-5H3/t8-,10-/m0/s1
InChIKeyMEIDKZALGDONKC-WPRPVWTQSA-N
MW170.25 g/mol
LogP2.49
Rot. Bonds2

About (4S,5S)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane

(4S,5S)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane (PubChem CID 54577276) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (4S,5S)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane
PubChem CID54577276
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(4S,5S)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane
SMILESC=C[C@]1(C)OC(C)(C)O[C@H]1CC
InChIInChI=1S/C10H18O2/c1-6-8-10(5,7-2)12-9(3,4)11-8/h7-8H,2,6H2,1,3-5H3/t8-,10-/m0/s1
InChIKeyMEIDKZALGDONKC-WPRPVWTQSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane
CID 135043605
2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde
CID 14635962
(3R)-3-ethyl-2,2-dimethyloxirane
CID 12568504
(4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde
CID 15632545
[(E)-2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethenyl]-trimethylsilane
CID 10487752
(5R)-2,2,4,4-tetramethyl-5-[(3S)-3-methylpent-4-enyl]-1,3-dioxolane
CID 6941978
4-ethyl-2,2,3,3-tetramethyloxetane
CID 58640685
2-ethenyl-5-ethyl-2-methyloxolane
CID 6431150
2-ethenyl-2-methyl-3-phenyloxirane
CID 12508185
(4S,6S)-6-ethyl-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 59093862
but-1-ene;[(1S)-1-[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]azanide;pentakis(yttrium)
CID 161369267
6-ethenyl-5-ethyl-6-methyl-3-naphthalen-1-yl-1,2,4-trioxane
CID 134928662

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane?
The IUPAC name of (4S,5S)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane (CID 54577276) is (4S,5S)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane?
The canonical SMILES for (4S,5S)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane is C=C[C@]1(C)OC(C)(C)O[C@H]1CC.
What is the InChIKey of (4S,5S)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane?
The InChIKey is MEIDKZALGDONKC-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H18O2/c1-6-8-10(5,7-2)12-9(3,4)11-8/h7-8H,2,6H2,1,3-5H3/t8-,10-/m0/s1.
What are the key properties of (4S,5S)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane?
(4S,5S)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane has a molecular weight of 170.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane is sourced from PubChem (CID 54577276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).