1,4-dioxane;2,2-di(propan-2-yl)-1,4-dioxane

C14H28O4 — CID 158582270

IUPAC1,4-dioxane;2,2-di(propan-2-yl)-1,4-dioxane
SMILESC1COCCO1.CC(C)C1(C(C)C)COCCO1
InChIInChI=1S/C10H20O2.C4H8O2/c1-8(2)10(9(3)4)7-11-5-6-12-10;1-2-6-4-3-5-1/h8-9H,5-7H2,1-4H3;1-4H2
InChIKeyHTJZGJKQFFYXIN-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.12
Rot. Bonds2

About 1,4-dioxane;2,2-di(propan-2-yl)-1,4-dioxane

1,4-dioxane;2,2-di(propan-2-yl)-1,4-dioxane (PubChem CID 158582270) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 1,4-dioxane;2,2-di(propan-2-yl)-1,4-dioxane.

Molecular Properties

Compound Name1,4-dioxane;2,2-di(propan-2-yl)-1,4-dioxane
PubChem CID158582270
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name1,4-dioxane;2,2-di(propan-2-yl)-1,4-dioxane
SMILESC1COCCO1.CC(C)C1(C(C)C)COCCO1
InChIInChI=1S/C10H20O2.C4H8O2/c1-8(2)10(9(3)4)7-11-5-6-12-10;1-2-6-4-3-5-1/h8-9H,5-7H2,1-4H3;1-4H2
InChIKeyHTJZGJKQFFYXIN-UHFFFAOYSA-N
XLogP2.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-methyl-12-propan-2-yl-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 142531209
2-chloro-N,N-di(propan-2-yl)-1,4-dioxan-2-amine
CID 150029728
2,12-bis(bromomethyl)-2,12-dimethyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 102587971
4,7-dioxaspiro[2.6]nonane
CID 118210447
1,1-di(propan-2-yl)cyclobutane;1,1-di(propan-2-yl)cyclopentane;2,2-di(propan-2-yl)-1,3-dioxolane;2,2-di(propan-2-yl)oxetane;3,3-di(propan-2-yl)oxetane;2,2-di(propan-2-yl)oxolane;3,3-di(propan-2-yl)oxolane;ethane;methane
CID 158171826
1,4-dioxane;propan-2-ol;hydrate
CID 70303390
2-ethyl-2-methyl-1,4-dioxane
CID 21332866
(3S)-3-propan-2-yloxolan-3-ol
CID 95379239
1,4-dioxane
CID 161483686
2,2-di(propan-2-yl)-1,3-dioxane;2,2-di(propan-2-yl)-1,3-dioxolane;methane
CID 158994829
12-ethyl-12-(12-ethyl-1,4,7,10-tetraoxacyclotridec-12-yl)-1,4,7,10-tetraoxacyclotridecane
CID 14205915
oxirane;propan-2-amine
CID 163631422

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;2,2-di(propan-2-yl)-1,4-dioxane?
The IUPAC name of 1,4-dioxane;2,2-di(propan-2-yl)-1,4-dioxane (CID 158582270) is 1,4-dioxane;2,2-di(propan-2-yl)-1,4-dioxane.
What is the SMILES notation for 1,4-dioxane;2,2-di(propan-2-yl)-1,4-dioxane?
The canonical SMILES for 1,4-dioxane;2,2-di(propan-2-yl)-1,4-dioxane is C1COCCO1.CC(C)C1(C(C)C)COCCO1.
What is the InChIKey of 1,4-dioxane;2,2-di(propan-2-yl)-1,4-dioxane?
The InChIKey is HTJZGJKQFFYXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C4H8O2/c1-8(2)10(9(3)4)7-11-5-6-12-10;1-2-6-4-3-5-1/h8-9H,5-7H2,1-4H3;1-4H2.
What are the key properties of 1,4-dioxane;2,2-di(propan-2-yl)-1,4-dioxane?
1,4-dioxane;2,2-di(propan-2-yl)-1,4-dioxane has a molecular weight of 260.37 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;2,2-di(propan-2-yl)-1,4-dioxane is sourced from PubChem (CID 158582270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).