(4S)-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxane

C11H22O2 — CID 141061915

IUPAC(4S)-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxane
SMILESCCC(C)(C)[C@@H]1CCOC(C)(C)O1
InChIInChI=1S/C11H22O2/c1-6-10(2,3)9-7-8-12-11(4,5)13-9/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyAZLPCBYXQBLCRA-VIFPVBQESA-N
MW186.29 g/mol
LogP2.96
Rot. Bonds2

About (4S)-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxane

(4S)-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxane (PubChem CID 141061915) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxane
PubChem CID141061915
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(4S)-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxane
SMILESCCC(C)(C)[C@@H]1CCOC(C)(C)O1
InChIInChI=1S/C11H22O2/c1-6-10(2,3)9-7-8-12-11(4,5)13-9/h9H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyAZLPCBYXQBLCRA-VIFPVBQESA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxane with MolForge

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Related Compounds

2-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentan-3-one
CID 54227088
2-(2,2-dimethyl-1,3-dioxan-4-yl)-2-methylpropanenitrile
CID 22723505
ethyl 2-(2,2-dimethyl-1,3-dioxan-4-yl)-2-methylpropanoate
CID 121003845
2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylhept-6-en-3-ol
CID 67546637
(4S)-2,2,4-trimethyl-1,3-dioxane
CID 12587732
4-(chloromethyl)-2,2-dimethyl-1,3-dioxane
CID 130696615
CID 59376423
CID 59376423
(4S)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxane
CID 174865524
2,2-dimethyl-1,3-dioxolane;ethane;propane
CID 143842052
2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol
CID 18471524
6-(2-methylbutan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 122595932
(4S,6S)-4-[[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-[[(4S,6S)-6-[[(4S,6R)-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxane
CID 11585308

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxane?
The IUPAC name of (4S)-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxane (CID 141061915) is (4S)-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxane?
The canonical SMILES for (4S)-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxane is CCC(C)(C)[C@@H]1CCOC(C)(C)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxane?
The InChIKey is AZLPCBYXQBLCRA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22O2/c1-6-10(2,3)9-7-8-12-11(4,5)13-9/h9H,6-8H2,1-5H3/t9-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxane?
(4S)-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxane has a molecular weight of 186.29 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxane is sourced from PubChem (CID 141061915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).