(2R,4R,5Z,6R)-5-(cyclohexen-1-ylmethylidene)-2,4-diethyl-6-methyl-1,3-dioxane

C16H26O2 — CID 11994598

IUPAC(2R,4R,5Z,6R)-5-(cyclohexen-1-ylmethylidene)-2,4-diethyl-6-methyl-1,3-dioxane
SMILESCC[C@@H]1O[C@H](C)/C(=C/C2=CCCCC2)[C@@H](CC)O1
InChIInChI=1S/C16H26O2/c1-4-15-14(11-13-9-7-6-8-10-13)12(3)17-16(5-2)18-15/h9,11-12,15-16H,4-8,10H2,1-3H3/b14-11-/t12-,15-,16-/m1/s1
InChIKeyHYBCGRMXHHXOEY-RFTPRPMVSA-N
MW250.38 g/mol
LogP4.36
Rot. Bonds3

About (2R,4R,5Z,6R)-5-(cyclohexen-1-ylmethylidene)-2,4-diethyl-6-methyl-1,3-dioxane

(2R,4R,5Z,6R)-5-(cyclohexen-1-ylmethylidene)-2,4-diethyl-6-methyl-1,3-dioxane (PubChem CID 11994598) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (2R,4R,5Z,6R)-5-(cyclohexen-1-ylmethylidene)-2,4-diethyl-6-methyl-1,3-dioxane.

Molecular Properties

Compound Name(2R,4R,5Z,6R)-5-(cyclohexen-1-ylmethylidene)-2,4-diethyl-6-methyl-1,3-dioxane
PubChem CID11994598
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(2R,4R,5Z,6R)-5-(cyclohexen-1-ylmethylidene)-2,4-diethyl-6-methyl-1,3-dioxane
SMILESCC[C@@H]1O[C@H](C)/C(=C/C2=CCCCC2)[C@@H](CC)O1
InChIInChI=1S/C16H26O2/c1-4-15-14(11-13-9-7-6-8-10-13)12(3)17-16(5-2)18-15/h9,11-12,15-16H,4-8,10H2,1-3H3/b14-11-/t12-,15-,16-/m1/s1
InChIKeyHYBCGRMXHHXOEY-RFTPRPMVSA-N
XLogP4.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5Z,6R)-5-(cyclohexen-1-ylmethylidene)-2,4-diethyl-6-methyl-1,3-dioxane?
The IUPAC name of (2R,4R,5Z,6R)-5-(cyclohexen-1-ylmethylidene)-2,4-diethyl-6-methyl-1,3-dioxane (CID 11994598) is (2R,4R,5Z,6R)-5-(cyclohexen-1-ylmethylidene)-2,4-diethyl-6-methyl-1,3-dioxane.
What is the SMILES notation for (2R,4R,5Z,6R)-5-(cyclohexen-1-ylmethylidene)-2,4-diethyl-6-methyl-1,3-dioxane?
The canonical SMILES for (2R,4R,5Z,6R)-5-(cyclohexen-1-ylmethylidene)-2,4-diethyl-6-methyl-1,3-dioxane is CC[C@@H]1O[C@H](C)/C(=C/C2=CCCCC2)[C@@H](CC)O1.
What is the InChIKey of (2R,4R,5Z,6R)-5-(cyclohexen-1-ylmethylidene)-2,4-diethyl-6-methyl-1,3-dioxane?
The InChIKey is HYBCGRMXHHXOEY-RFTPRPMVSA-N. The full InChI is InChI=1S/C16H26O2/c1-4-15-14(11-13-9-7-6-8-10-13)12(3)17-16(5-2)18-15/h9,11-12,15-16H,4-8,10H2,1-3H3/b14-11-/t12-,15-,16-/m1/s1.
What are the key properties of (2R,4R,5Z,6R)-5-(cyclohexen-1-ylmethylidene)-2,4-diethyl-6-methyl-1,3-dioxane?
(2R,4R,5Z,6R)-5-(cyclohexen-1-ylmethylidene)-2,4-diethyl-6-methyl-1,3-dioxane has a molecular weight of 250.38 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5Z,6R)-5-(cyclohexen-1-ylmethylidene)-2,4-diethyl-6-methyl-1,3-dioxane is sourced from PubChem (CID 11994598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).