(4S,6R)-4-cyclohexyl-6-ethenyl-2,2-dimethyl-1,3-dioxane

C14H24O2 — CID 134943374

IUPAC(4S,6R)-4-cyclohexyl-6-ethenyl-2,2-dimethyl-1,3-dioxane
SMILESC=C[C@H]1C[C@@H](C2CCCCC2)OC(C)(C)O1
InChIInChI=1S/C14H24O2/c1-4-12-10-13(16-14(2,3)15-12)11-8-6-5-7-9-11/h4,11-13H,1,5-10H2,2-3H3/t12-,13-/m0/s1
InChIKeyQRONJUAZMJBLBS-STQMWFEESA-N
MW224.34 g/mol
LogP3.66
Rot. Bonds2

About (4S,6R)-4-cyclohexyl-6-ethenyl-2,2-dimethyl-1,3-dioxane

(4S,6R)-4-cyclohexyl-6-ethenyl-2,2-dimethyl-1,3-dioxane (PubChem CID 134943374) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (4S,6R)-4-cyclohexyl-6-ethenyl-2,2-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name(4S,6R)-4-cyclohexyl-6-ethenyl-2,2-dimethyl-1,3-dioxane
PubChem CID134943374
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(4S,6R)-4-cyclohexyl-6-ethenyl-2,2-dimethyl-1,3-dioxane
SMILESC=C[C@H]1C[C@@H](C2CCCCC2)OC(C)(C)O1
InChIInChI=1S/C14H24O2/c1-4-12-10-13(16-14(2,3)15-12)11-8-6-5-7-9-11/h4,11-13H,1,5-10H2,2-3H3/t12-,13-/m0/s1
InChIKeyQRONJUAZMJBLBS-STQMWFEESA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4-cyclohexyl-6-ethenyl-2,2-dimethyl-1,3-dioxane?
The IUPAC name of (4S,6R)-4-cyclohexyl-6-ethenyl-2,2-dimethyl-1,3-dioxane (CID 134943374) is (4S,6R)-4-cyclohexyl-6-ethenyl-2,2-dimethyl-1,3-dioxane.
What is the SMILES notation for (4S,6R)-4-cyclohexyl-6-ethenyl-2,2-dimethyl-1,3-dioxane?
The canonical SMILES for (4S,6R)-4-cyclohexyl-6-ethenyl-2,2-dimethyl-1,3-dioxane is C=C[C@H]1C[C@@H](C2CCCCC2)OC(C)(C)O1.
What is the InChIKey of (4S,6R)-4-cyclohexyl-6-ethenyl-2,2-dimethyl-1,3-dioxane?
The InChIKey is QRONJUAZMJBLBS-STQMWFEESA-N. The full InChI is InChI=1S/C14H24O2/c1-4-12-10-13(16-14(2,3)15-12)11-8-6-5-7-9-11/h4,11-13H,1,5-10H2,2-3H3/t12-,13-/m0/s1.
What are the key properties of (4S,6R)-4-cyclohexyl-6-ethenyl-2,2-dimethyl-1,3-dioxane?
(4S,6R)-4-cyclohexyl-6-ethenyl-2,2-dimethyl-1,3-dioxane has a molecular weight of 224.34 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4-cyclohexyl-6-ethenyl-2,2-dimethyl-1,3-dioxane is sourced from PubChem (CID 134943374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).