(2S,3R,4R,5R)-2-ethenyl-5-ethoxy-3-methyl-4-propan-2-yloxolane

C12H22O2 — CID 101044804

IUPAC(2S,3R,4R,5R)-2-ethenyl-5-ethoxy-3-methyl-4-propan-2-yloxolane
SMILESC=C[C@@H]1O[C@@H](OCC)[C@H](C(C)C)[C@H]1C
InChIInChI=1S/C12H22O2/c1-6-10-9(5)11(8(3)4)12(14-10)13-7-2/h6,8-12H,1,7H2,2-5H3/t9-,10-,11+,12+/m0/s1
InChIKeyHVGVZJOSFHXNLX-NNYUYHANSA-N
MW198.31 g/mol
LogP2.84
Rot. Bonds4

About (2S,3R,4R,5R)-2-ethenyl-5-ethoxy-3-methyl-4-propan-2-yloxolane

(2S,3R,4R,5R)-2-ethenyl-5-ethoxy-3-methyl-4-propan-2-yloxolane (PubChem CID 101044804) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-ethenyl-5-ethoxy-3-methyl-4-propan-2-yloxolane.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-ethenyl-5-ethoxy-3-methyl-4-propan-2-yloxolane
PubChem CID101044804
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(2S,3R,4R,5R)-2-ethenyl-5-ethoxy-3-methyl-4-propan-2-yloxolane
SMILESC=C[C@@H]1O[C@@H](OCC)[C@H](C(C)C)[C@H]1C
InChIInChI=1S/C12H22O2/c1-6-10-9(5)11(8(3)4)12(14-10)13-7-2/h6,8-12H,1,7H2,2-5H3/t9-,10-,11+,12+/m0/s1
InChIKeyHVGVZJOSFHXNLX-NNYUYHANSA-N
XLogP2.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.84
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

(2S,3R,5R)-2-ethenyl-5-ethoxy-3-methyloxolane
CID 101044800
4-Ethenyl-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolane
CID 19005248
2,5-Bis(ethenyl)-3,4-bis(methoxymethyl)oxolane
CID 20682585
(4S,5R)-2,2-Dimethyl-4-isobutyl-5-vinyl-1,3-dioxolane
CID 57017871
4-Ethenyl-2-methyl-2-(2-methylbutyl)-1,3-dioxolane
CID 67789088
5-[Bis[(2-methylpropan-2-yl)oxy]methyl]-7-oxabicyclo[2.2.1]hept-2-ene
CID 70171305
2-Ethenyl-5-methyl-3-propan-2-yloxolan-2-ol
CID 139677018
4-Ethenyl-2-(2-methylbutyl)-1,3-dioxolane
CID 140371461
4-Butan-2-yl-5-ethenyl-1,3-dioxolane;ethene
CID 143329167
(4S,5R)-4-[(2R)-butan-2-yl]-2-ethenyl-5-methyl-1,3-dioxolane
CID 143448355
(5-Ethenyl-5-methyloxolan-2-yl) 3-methylbutan-2-yl carbonate
CID 175388665
3-But-3-enyl-5-butoxy-2,2-dimethyloxolane
CID 11390508

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-ethenyl-5-ethoxy-3-methyl-4-propan-2-yloxolane?
The IUPAC name of (2S,3R,4R,5R)-2-ethenyl-5-ethoxy-3-methyl-4-propan-2-yloxolane (CID 101044804) is (2S,3R,4R,5R)-2-ethenyl-5-ethoxy-3-methyl-4-propan-2-yloxolane.
What is the SMILES notation for (2S,3R,4R,5R)-2-ethenyl-5-ethoxy-3-methyl-4-propan-2-yloxolane?
The canonical SMILES for (2S,3R,4R,5R)-2-ethenyl-5-ethoxy-3-methyl-4-propan-2-yloxolane is C=C[C@@H]1O[C@@H](OCC)[C@H](C(C)C)[C@H]1C.
What is the InChIKey of (2S,3R,4R,5R)-2-ethenyl-5-ethoxy-3-methyl-4-propan-2-yloxolane?
The InChIKey is HVGVZJOSFHXNLX-NNYUYHANSA-N. The full InChI is InChI=1S/C12H22O2/c1-6-10-9(5)11(8(3)4)12(14-10)13-7-2/h6,8-12H,1,7H2,2-5H3/t9-,10-,11+,12+/m0/s1.
What are the key properties of (2S,3R,4R,5R)-2-ethenyl-5-ethoxy-3-methyl-4-propan-2-yloxolane?
(2S,3R,4R,5R)-2-ethenyl-5-ethoxy-3-methyl-4-propan-2-yloxolane has a molecular weight of 198.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-2-ethenyl-5-ethoxy-3-methyl-4-propan-2-yloxolane is sourced from PubChem (CID 101044804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).