2,2-dimethyl-5,5-dipropyl-1,3-dioxane

C12H24O2 — CID 15153766

IUPAC2,2-dimethyl-5,5-dipropyl-1,3-dioxane
SMILESCCCC1(CCC)COC(C)(C)OC1
InChIInChI=1S/C12H24O2/c1-5-7-12(8-6-2)9-13-11(3,4)14-10-12/h5-10H2,1-4H3
InChIKeyAMCVAFBZKKAZBH-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.36
Rot. Bonds4

About 2,2-dimethyl-5,5-dipropyl-1,3-dioxane

2,2-dimethyl-5,5-dipropyl-1,3-dioxane (PubChem CID 15153766) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2,2-dimethyl-5,5-dipropyl-1,3-dioxane.

Molecular Properties

Compound Name2,2-dimethyl-5,5-dipropyl-1,3-dioxane
PubChem CID15153766
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2,2-dimethyl-5,5-dipropyl-1,3-dioxane
SMILESCCCC1(CCC)COC(C)(C)OC1
InChIInChI=1S/C12H24O2/c1-5-7-12(8-6-2)9-13-11(3,4)14-10-12/h5-10H2,1-4H3
InChIKeyAMCVAFBZKKAZBH-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(iodomethyl)-2,2-dimethyl-5-propyl-1,3-dioxane
CID 19373320
(4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane
CID 58254236
2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane
CID 10932381
3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)propanal
CID 11009255
2,4,4-trimethyl-2-propyl-1,3-oxazolidine
CID 117228404
2-methyl-2-pentyloxirane
CID 559073
triethyl-[(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methoxy]silane
CID 12009141
[5-(butoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methanol
CID 68562910
2-icosyl-2-methyloxirane
CID 87753382
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane
CID 67259972

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5,5-dipropyl-1,3-dioxane?
The IUPAC name of 2,2-dimethyl-5,5-dipropyl-1,3-dioxane (CID 15153766) is 2,2-dimethyl-5,5-dipropyl-1,3-dioxane.
What is the SMILES notation for 2,2-dimethyl-5,5-dipropyl-1,3-dioxane?
The canonical SMILES for 2,2-dimethyl-5,5-dipropyl-1,3-dioxane is CCCC1(CCC)COC(C)(C)OC1.
What is the InChIKey of 2,2-dimethyl-5,5-dipropyl-1,3-dioxane?
The InChIKey is AMCVAFBZKKAZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-7-12(8-6-2)9-13-11(3,4)14-10-12/h5-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-5,5-dipropyl-1,3-dioxane?
2,2-dimethyl-5,5-dipropyl-1,3-dioxane has a molecular weight of 200.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5,5-dipropyl-1,3-dioxane is sourced from PubChem (CID 15153766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).