(4R)-4-cyclohexa-1,3-dien-1-yl-2-methyl-1,3-dioxane

C11H16O2 — CID 143245620

IUPAC(4R)-4-cyclohexa-1,3-dien-1-yl-2-methyl-1,3-dioxane
SMILESCC1OCC[C@H](C2=CC=CCC2)O1
InChIInChI=1S/C11H16O2/c1-9-12-8-7-11(13-9)10-5-3-2-4-6-10/h2-3,5,9,11H,4,6-8H2,1H3/t9?,11-/m1/s1
InChIKeyGAZHJSGRXYEBNQ-HCCKASOXSA-N
MW180.25 g/mol
LogP2.41
Rot. Bonds1

About (4R)-4-cyclohexa-1,3-dien-1-yl-2-methyl-1,3-dioxane

(4R)-4-cyclohexa-1,3-dien-1-yl-2-methyl-1,3-dioxane (PubChem CID 143245620) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (4R)-4-cyclohexa-1,3-dien-1-yl-2-methyl-1,3-dioxane.

Molecular Properties

Compound Name(4R)-4-cyclohexa-1,3-dien-1-yl-2-methyl-1,3-dioxane
PubChem CID143245620
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(4R)-4-cyclohexa-1,3-dien-1-yl-2-methyl-1,3-dioxane
SMILESCC1OCC[C@H](C2=CC=CCC2)O1
InChIInChI=1S/C11H16O2/c1-9-12-8-7-11(13-9)10-5-3-2-4-6-10/h2-3,5,9,11H,4,6-8H2,1H3/t9?,11-/m1/s1
InChIKeyGAZHJSGRXYEBNQ-HCCKASOXSA-N
XLogP2.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Octoxy-2-[4-(2,2,2-trifluoroethoxy)cyclohexa-1,5-dien-1-yl]-1,3-dioxane
CID 56611565
5-Heptoxy-2-[4-(1,1,2,2,3-pentafluoropropoxy)cyclohexa-1,5-dien-1-yl]-1,3-dioxane
CID 56617742
5-Pentyl-2-[4-(2,2,2-trifluoroethoxy)cyclohexa-1,5-dien-1-yl]-1,3-dioxane
CID 56620076
5-Heptoxy-2-[4-(2,2,2-trifluoroethoxy)cyclohexa-1,5-dien-1-yl]-1,3-dioxane
CID 56630139
2-[4-(1,1,2,2,3,3,4-Heptafluorobutoxy)cyclohexa-1,5-dien-1-yl]-5-heptoxy-1,3-dioxane
CID 56635792
(2R,4R,5Z,6R)-5-(cyclohexen-1-ylmethylidene)-2,4-diethyl-6-methyl-1,3-dioxane
CID 11994598
1,3-Diethyl-8-methyl-2,9-dioxabicyclo[3.3.1]non-7-ene
CID 129776261
bromozinc(1+);2-[(3E)-deca-1,3-dien-5-yl]oxyoxane
CID 135075875
2H-Pyran, 2-[2-(1,3-cyclohexadien-1-yl)-1-methylethoxy]-3,4,5,6-tetrahydro-
CID 559157
1-(Diethoxymethyl)cyclohex-1-ene
CID 12540973
(2S)-2-(2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-yl)oxyoxane
CID 54037773
2-(Cyclohexen-1-yl)-1,3-dioxane
CID 57103168

Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyclohexa-1,3-dien-1-yl-2-methyl-1,3-dioxane?
The IUPAC name of (4R)-4-cyclohexa-1,3-dien-1-yl-2-methyl-1,3-dioxane (CID 143245620) is (4R)-4-cyclohexa-1,3-dien-1-yl-2-methyl-1,3-dioxane.
What is the SMILES notation for (4R)-4-cyclohexa-1,3-dien-1-yl-2-methyl-1,3-dioxane?
The canonical SMILES for (4R)-4-cyclohexa-1,3-dien-1-yl-2-methyl-1,3-dioxane is CC1OCC[C@H](C2=CC=CCC2)O1.
What is the InChIKey of (4R)-4-cyclohexa-1,3-dien-1-yl-2-methyl-1,3-dioxane?
The InChIKey is GAZHJSGRXYEBNQ-HCCKASOXSA-N. The full InChI is InChI=1S/C11H16O2/c1-9-12-8-7-11(13-9)10-5-3-2-4-6-10/h2-3,5,9,11H,4,6-8H2,1H3/t9?,11-/m1/s1.
What are the key properties of (4R)-4-cyclohexa-1,3-dien-1-yl-2-methyl-1,3-dioxane?
(4R)-4-cyclohexa-1,3-dien-1-yl-2-methyl-1,3-dioxane has a molecular weight of 180.25 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyclohexa-1,3-dien-1-yl-2-methyl-1,3-dioxane is sourced from PubChem (CID 143245620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).