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

C12H18O2 — CID 10535820

IUPAC(4R,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane
SMILESC#CC[C@H]1OC(C)(C)O[C@H](C=C)[C@@H]1C
InChIInChI=1S/C12H18O2/c1-6-8-11-9(3)10(7-2)13-12(4,5)14-11/h1,7,9-11H,2,8H2,3-5H3/t9-,10+,11+/m0/s1
InChIKeyCKVMFJWESNYZRZ-HBNTYKKESA-N
MW194.27 g/mol
LogP2.35
Rot. Bonds2

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

(4R,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane (PubChem CID 10535820) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (4R,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane.

Molecular Properties

Compound Name(4R,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane
PubChem CID10535820
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(4R,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane
SMILESC#CC[C@H]1OC(C)(C)O[C@H](C=C)[C@@H]1C
InChIInChI=1S/C12H18O2/c1-6-8-11-9(3)10(7-2)13-12(4,5)14-11/h1,7,9-11H,2,8H2,3-5H3/t9-,10+,11+/m0/s1
InChIKeyCKVMFJWESNYZRZ-HBNTYKKESA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.35
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'}

Analyze (4R,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S,6S)-6-ethenyl-2,2,4,4-tetramethyl-5-prop-2-ynyl-1,3-dioxane
CID 134937914
(4S,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane
CID 10679356
(4S,6R)-4-ethenyl-2,2-dimethyl-6-prop-2-ynyl-1,3-dioxane
CID 15030849
CID 59269062
CID 59269062
CID 59269495
CID 59269495
5-Butan-2-yl-2-ethenyl-2-ethynyl-1,3-dioxane
CID 89076544
2-Ethenyl-2-ethynyl-5-propyl-1,3-dioxane
CID 89076567
Ethane;2-ethenyl-3-prop-1-ynyloxane
CID 145687281
(4S,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane;(3S,4R,5R)-4-methyloct-1-en-7-yne-3,5-diol
CID 159510614
(4R,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane;(3R,4R,5R)-4-methyloct-1-en-7-yne-3,5-diol
CID 159510615
(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

Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane?
The IUPAC name of (4R,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane (CID 10535820) is (4R,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane.
What is the SMILES notation for (4R,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane?
The canonical SMILES for (4R,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane is C#CC[C@H]1OC(C)(C)O[C@H](C=C)[C@@H]1C.
What is the InChIKey of (4R,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane?
The InChIKey is CKVMFJWESNYZRZ-HBNTYKKESA-N. The full InChI is InChI=1S/C12H18O2/c1-6-8-11-9(3)10(7-2)13-12(4,5)14-11/h1,7,9-11H,2,8H2,3-5H3/t9-,10+,11+/m0/s1.
What are the key properties of (4R,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane?
(4R,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane has a molecular weight of 194.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-4-ethenyl-2,2,5-trimethyl-6-prop-2-ynyl-1,3-dioxane is sourced from PubChem (CID 10535820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).