2,2-dimethyl-1,3-dioxolane;1,3-dioxolane

C8H16O4 — CID 158752243

IUPAC2,2-dimethyl-1,3-dioxolane;1,3-dioxolane
SMILESC1COCO1.CC1(C)OCCO1
InChIInChI=1S/C5H10O2.C3H6O2/c1-5(2)6-3-4-7-5;1-2-5-3-4-1/h3-4H2,1-2H3;1-3H2
InChIKeyINPYTEWHPFIQIZ-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.76
Rot. Bonds

About 2,2-dimethyl-1,3-dioxolane;1,3-dioxolane

2,2-dimethyl-1,3-dioxolane;1,3-dioxolane (PubChem CID 158752243) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dioxolane;1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dioxolane;1,3-dioxolane
PubChem CID158752243
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2,2-dimethyl-1,3-dioxolane;1,3-dioxolane
SMILESC1COCO1.CC1(C)OCCO1
InChIInChI=1S/C5H10O2.C3H6O2/c1-5(2)6-3-4-7-5;1-2-5-3-4-1/h3-4H2,1-2H3;1-3H2
InChIKeyINPYTEWHPFIQIZ-UHFFFAOYSA-N
XLogP0.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dioxolane;ethane
CID 91327375
1,3-dioxolane;ethane
CID 90816519
2,2-dimethyl-1,3-dioxolane;ethane;propane
CID 143842052
1,3,6,8-tetraoxecane
CID 19993864
2,2-dimethyl-1,3-dioxolane;formic acid
CID 142542540
2,2,6,6-tetramethyl-1,3-dioxocane
CID 100919422
1,3,5,7,10,13-hexaoxacyclopentadecane
CID 15396088
(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane
CID 67855478
4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine
CID 11137610
1,3-dioxolane;oxolane
CID 23437621
2-ethyl-2-methyl-1,4-dioxane
CID 21332866
2-methyl-2-propyl-1,3,6-trioxocane
CID 89306416

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dioxolane;1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-1,3-dioxolane;1,3-dioxolane (CID 158752243) is 2,2-dimethyl-1,3-dioxolane;1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-1,3-dioxolane;1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-1,3-dioxolane;1,3-dioxolane is C1COCO1.CC1(C)OCCO1.
What is the InChIKey of 2,2-dimethyl-1,3-dioxolane;1,3-dioxolane?
The InChIKey is INPYTEWHPFIQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C3H6O2/c1-5(2)6-3-4-7-5;1-2-5-3-4-1/h3-4H2,1-2H3;1-3H2.
What are the key properties of 2,2-dimethyl-1,3-dioxolane;1,3-dioxolane?
2,2-dimethyl-1,3-dioxolane;1,3-dioxolane has a molecular weight of 176.21 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dioxolane;1,3-dioxolane is sourced from PubChem (CID 158752243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).