(4S,6R)-2-methylidene-4,6-di(propan-2-yl)-1,3-dioxane

C11H20O2 — CID 59227326

IUPAC(4S,6R)-2-methylidene-4,6-di(propan-2-yl)-1,3-dioxane
SMILESC=C1O[C@H](C(C)C)C[C@H](C(C)C)O1
InChIInChI=1S/C11H20O2/c1-7(2)10-6-11(8(3)4)13-9(5)12-10/h7-8,10-11H,5-6H2,1-4H3/t10-,11+
InChIKeyHAMSTZCXRVOXRA-PHIMTYICSA-N
MW184.28 g/mol
LogP2.94
Rot. Bonds2

About (4S,6R)-2-methylidene-4,6-di(propan-2-yl)-1,3-dioxane

(4S,6R)-2-methylidene-4,6-di(propan-2-yl)-1,3-dioxane (PubChem CID 59227326) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4S,6R)-2-methylidene-4,6-di(propan-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name(4S,6R)-2-methylidene-4,6-di(propan-2-yl)-1,3-dioxane
PubChem CID59227326
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(4S,6R)-2-methylidene-4,6-di(propan-2-yl)-1,3-dioxane
SMILESC=C1O[C@H](C(C)C)C[C@H](C(C)C)O1
InChIInChI=1S/C11H20O2/c1-7(2)10-6-11(8(3)4)13-9(5)12-10/h7-8,10-11H,5-6H2,1-4H3/t10-,11+
InChIKeyHAMSTZCXRVOXRA-PHIMTYICSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,6R)-4,6-di(propan-2-yl)-1,3-dioxan-2-one
CID 59787451
(2S,3aS,6aS)-6-methylidene-2-propan-2-yl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-5-one
CID 10702580
3,5-di(propan-2-yl)oxolan-2-one
CID 58239098
4-methylidene-2-propan-2-yloxolane
CID 154592638
(4S)-4-propan-2-yloxetan-2-one
CID 11126218
3-propan-2-yl-2,6-dioxabicyclo[3.1.0]hexane
CID 163523755
2,4,6-tri(propan-2-yl)-1,3,2-dioxaphosphinane
CID 21117725
(2S)-5,7-dimethyl-2-propan-2-yl-2,3,4,6-tetrahydrocyclopenta[b]pyran-4-ol
CID 59656261
(2R,4R)-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 130124286
(1S,2R,4S,6S)-4-propan-2-yl-3,7-dioxatricyclo[4.3.0.02,9]nonan-8-one
CID 101255575
(2R,5S)-2,5-di(propan-2-yl)oxolane
CID 12641398
3-ethyl-5-propan-2-yldioxolane
CID 14982104

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-2-methylidene-4,6-di(propan-2-yl)-1,3-dioxane?
The IUPAC name of (4S,6R)-2-methylidene-4,6-di(propan-2-yl)-1,3-dioxane (CID 59227326) is (4S,6R)-2-methylidene-4,6-di(propan-2-yl)-1,3-dioxane.
What is the SMILES notation for (4S,6R)-2-methylidene-4,6-di(propan-2-yl)-1,3-dioxane?
The canonical SMILES for (4S,6R)-2-methylidene-4,6-di(propan-2-yl)-1,3-dioxane is C=C1O[C@H](C(C)C)C[C@H](C(C)C)O1.
What is the InChIKey of (4S,6R)-2-methylidene-4,6-di(propan-2-yl)-1,3-dioxane?
The InChIKey is HAMSTZCXRVOXRA-PHIMTYICSA-N. The full InChI is InChI=1S/C11H20O2/c1-7(2)10-6-11(8(3)4)13-9(5)12-10/h7-8,10-11H,5-6H2,1-4H3/t10-,11+.
What are the key properties of (4S,6R)-2-methylidene-4,6-di(propan-2-yl)-1,3-dioxane?
(4S,6R)-2-methylidene-4,6-di(propan-2-yl)-1,3-dioxane has a molecular weight of 184.28 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-2-methylidene-4,6-di(propan-2-yl)-1,3-dioxane is sourced from PubChem (CID 59227326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).