(4S,6R)-4-ethenyl-2,2,5,5-tetramethyl-6-prop-2-ynyl-1,3-dioxane

C13H20O2 — CID 10943700

IUPAC(4S,6R)-4-ethenyl-2,2,5,5-tetramethyl-6-prop-2-ynyl-1,3-dioxane
SMILESC#CC[C@H]1OC(C)(C)O[C@@H](C=C)C1(C)C
InChIInChI=1S/C13H20O2/c1-7-9-11-12(3,4)10(8-2)14-13(5,6)15-11/h1,8,10-11H,2,9H2,3-6H3/t10-,11+/m0/s1
InChIKeyUHBDVFLWXFHTKJ-WDEREUQCSA-N
MW208.30 g/mol
LogP2.74
Rot. Bonds2

About (4S,6R)-4-ethenyl-2,2,5,5-tetramethyl-6-prop-2-ynyl-1,3-dioxane

(4S,6R)-4-ethenyl-2,2,5,5-tetramethyl-6-prop-2-ynyl-1,3-dioxane (PubChem CID 10943700) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (4S,6R)-4-ethenyl-2,2,5,5-tetramethyl-6-prop-2-ynyl-1,3-dioxane.

Molecular Properties

Compound Name(4S,6R)-4-ethenyl-2,2,5,5-tetramethyl-6-prop-2-ynyl-1,3-dioxane
PubChem CID10943700
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(4S,6R)-4-ethenyl-2,2,5,5-tetramethyl-6-prop-2-ynyl-1,3-dioxane
SMILESC#CC[C@H]1OC(C)(C)O[C@@H](C=C)C1(C)C
InChIInChI=1S/C13H20O2/c1-7-9-11-12(3,4)10(8-2)14-13(5,6)15-11/h1,8,10-11H,2,9H2,3-6H3/t10-,11+/m0/s1
InChIKeyUHBDVFLWXFHTKJ-WDEREUQCSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-5-prop-2-enyl-5-prop-2-ynyl-1,3-dioxane
CID 11019739
(5S,6S)-6-ethenyl-2,2,4,4-tetramethyl-5-prop-2-ynyl-1,3-dioxane
CID 134937914
(4R,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane
CID 10535820
(4S,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane
CID 10679356
4-Tert-butyl-6-ethenyl-1,3-dioxan-2-one
CID 13868629
(4S,6R)-4-ethenyl-2,2-dimethyl-6-prop-2-ynyl-1,3-dioxane
CID 15030849
CID 59269062
CID 59269062
5-Butan-2-yl-2-ethenyl-2-ethynyl-1,3-dioxane
CID 89076544
2-Ethenyl-2-ethynyl-5-propyl-1,3-dioxane
CID 89076567
(4R,5S)-5-(4-cyclohexylbut-3-ynyl)-4-ethenyl-2,2-dimethyl-1,3-dioxane
CID 10492741
(4R,5R)-5-(4-cyclohexylbut-3-ynyl)-4-ethenyl-2,2-dimethyl-1,3-dioxane
CID 10802434
(4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxane
CID 10855928

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4-ethenyl-2,2,5,5-tetramethyl-6-prop-2-ynyl-1,3-dioxane?
The IUPAC name of (4S,6R)-4-ethenyl-2,2,5,5-tetramethyl-6-prop-2-ynyl-1,3-dioxane (CID 10943700) is (4S,6R)-4-ethenyl-2,2,5,5-tetramethyl-6-prop-2-ynyl-1,3-dioxane.
What is the SMILES notation for (4S,6R)-4-ethenyl-2,2,5,5-tetramethyl-6-prop-2-ynyl-1,3-dioxane?
The canonical SMILES for (4S,6R)-4-ethenyl-2,2,5,5-tetramethyl-6-prop-2-ynyl-1,3-dioxane is C#CC[C@H]1OC(C)(C)O[C@@H](C=C)C1(C)C.
What is the InChIKey of (4S,6R)-4-ethenyl-2,2,5,5-tetramethyl-6-prop-2-ynyl-1,3-dioxane?
The InChIKey is UHBDVFLWXFHTKJ-WDEREUQCSA-N. The full InChI is InChI=1S/C13H20O2/c1-7-9-11-12(3,4)10(8-2)14-13(5,6)15-11/h1,8,10-11H,2,9H2,3-6H3/t10-,11+/m0/s1.
What are the key properties of (4S,6R)-4-ethenyl-2,2,5,5-tetramethyl-6-prop-2-ynyl-1,3-dioxane?
(4S,6R)-4-ethenyl-2,2,5,5-tetramethyl-6-prop-2-ynyl-1,3-dioxane has a molecular weight of 208.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4-ethenyl-2,2,5,5-tetramethyl-6-prop-2-ynyl-1,3-dioxane is sourced from PubChem (CID 10943700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).