2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane

C15H30O4 — CID 157085874

IUPAC2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane
SMILESCC(C)CC1OCCCO1.CC(C)CC1OCCO1
InChIInChI=1S/C8H16O2.C7H14O2/c1-7(2)6-8-9-4-3-5-10-8;1-6(2)5-7-8-3-4-9-7/h7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyAEBRBYKHLBJRLD-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.20
Rot. Bonds4

About 2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane

2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane (PubChem CID 157085874) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane
PubChem CID157085874
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane
SMILESCC(C)CC1OCCCO1.CC(C)CC1OCCO1
InChIInChI=1S/C8H16O2.C7H14O2/c1-7(2)6-8-9-4-3-5-10-8;1-6(2)5-7-8-3-4-9-7/h7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyAEBRBYKHLBJRLD-UHFFFAOYSA-N
XLogP3.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(1,3-dioxan-2-yl)propan-2-ol
CID 14290520
1-(1,3-dioxan-2-yl)propan-2-amine
CID 82111184
1-(1,3-dioxan-2-yl)butan-2-ol
CID 130148324
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
2-[2-(iodomethyl)-3-methylbutyl]-1,3-dioxolane
CID 20634644
(2R)-2-(2-methylpropyl)oxane
CID 58653197
2-(2-methylpropyl)-1,3-dioxan-5-one
CID 59066801
4-(1,3-dioxolan-2-yl)-2,3-dimethylbutan-1-amine
CID 70442959
2-(2,2-dimethoxyethyl)-1,3-dioxolane
CID 14470922
(3R,4S)-7-(1,3-dioxan-2-yl)-6-methylhept-1-ene-3,4-diol
CID 101487132
4-(1,3-dioxolan-2-yl)-3-methylbutan-1-amine
CID 70443822
3-chloroazetidine;2-(2-methylbutyl)-1,3-dioxane;propane
CID 142532435

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane?
The IUPAC name of 2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane (CID 157085874) is 2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane is CC(C)CC1OCCCO1.CC(C)CC1OCCO1.
What is the InChIKey of 2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane?
The InChIKey is AEBRBYKHLBJRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C7H14O2/c1-7(2)6-8-9-4-3-5-10-8;1-6(2)5-7-8-3-4-9-7/h7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane?
2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane has a molecular weight of 274.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1,3-dioxane;2-(2-methylpropyl)-1,3-dioxolane is sourced from PubChem (CID 157085874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).