(2S,4R)-2-tert-butyl-4-methyl-6-methylidene-1,3-dioxane

C10H18O2 — CID 15305950

IUPAC(2S,4R)-2-tert-butyl-4-methyl-6-methylidene-1,3-dioxane
SMILESC=C1C[C@@H](C)O[C@H](C(C)(C)C)O1
InChIInChI=1S/C10H18O2/c1-7-6-8(2)12-9(11-7)10(3,4)5/h8-9H,1,6H2,2-5H3/t8-,9-/m1/s1
InChIKeyDWTGDAZAIZTIDX-RKDXNWHRSA-N
MW170.25 g/mol
LogP2.70
Rot. Bonds

About (2S,4R)-2-tert-butyl-4-methyl-6-methylidene-1,3-dioxane

(2S,4R)-2-tert-butyl-4-methyl-6-methylidene-1,3-dioxane (PubChem CID 15305950) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2S,4R)-2-tert-butyl-4-methyl-6-methylidene-1,3-dioxane.

Molecular Properties

Compound Name(2S,4R)-2-tert-butyl-4-methyl-6-methylidene-1,3-dioxane
PubChem CID15305950
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2S,4R)-2-tert-butyl-4-methyl-6-methylidene-1,3-dioxane
SMILESC=C1C[C@@H](C)O[C@H](C(C)(C)C)O1
InChIInChI=1S/C10H18O2/c1-7-6-8(2)12-9(11-7)10(3,4)5/h8-9H,1,6H2,2-5H3/t8-,9-/m1/s1
InChIKeyDWTGDAZAIZTIDX-RKDXNWHRSA-N
XLogP2.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-tert-butyl-4-methyl-6-methylidene-1,3-dioxane?
The IUPAC name of (2S,4R)-2-tert-butyl-4-methyl-6-methylidene-1,3-dioxane (CID 15305950) is (2S,4R)-2-tert-butyl-4-methyl-6-methylidene-1,3-dioxane.
What is the SMILES notation for (2S,4R)-2-tert-butyl-4-methyl-6-methylidene-1,3-dioxane?
The canonical SMILES for (2S,4R)-2-tert-butyl-4-methyl-6-methylidene-1,3-dioxane is C=C1C[C@@H](C)O[C@H](C(C)(C)C)O1.
What is the InChIKey of (2S,4R)-2-tert-butyl-4-methyl-6-methylidene-1,3-dioxane?
The InChIKey is DWTGDAZAIZTIDX-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-6-8(2)12-9(11-7)10(3,4)5/h8-9H,1,6H2,2-5H3/t8-,9-/m1/s1.
What are the key properties of (2S,4R)-2-tert-butyl-4-methyl-6-methylidene-1,3-dioxane?
(2S,4R)-2-tert-butyl-4-methyl-6-methylidene-1,3-dioxane has a molecular weight of 170.25 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-tert-butyl-4-methyl-6-methylidene-1,3-dioxane is sourced from PubChem (CID 15305950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).