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

C6H12O4 — CID 142542540

IUPAC2,2-dimethyl-1,3-dioxolane;formic acid
SMILESCC1(C)OCCO1.O=CO
InChIInChI=1S/C5H10O2.CH2O2/c1-5(2)6-3-4-7-5;2-1-3/h3-4H2,1-2H3;1H,(H,2,3)
InChIKeyRAIZCCSSFWAJDL-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.47
Rot. Bonds

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

2,2-dimethyl-1,3-dioxolane;formic acid (PubChem CID 142542540) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dioxolane;formic acid.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dioxolane;formic acid
PubChem CID142542540
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name2,2-dimethyl-1,3-dioxolane;formic acid
SMILESCC1(C)OCCO1.O=CO
InChIInChI=1S/C5H10O2.CH2O2/c1-5(2)6-3-4-7-5;2-1-3/h3-4H2,1-2H3;1H,(H,2,3)
InChIKeyRAIZCCSSFWAJDL-UHFFFAOYSA-N
XLogP0.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-1,3-dioxolane;ethane;propane
CID 143842052
2,2-dimethyl-1,3-dioxolane;1,3-dioxolane
CID 158752243
2,2,6,6-tetramethyl-1,3-dioxocane
CID 100919422
2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 10953638
hydroxyformaldehyde
CID 11672690
formic acid;1-methylcyclobutan-1-amine;hydrochloride
CID 175593564
acetic acid;formic acid;hydrogen peroxide
CID 172718921
4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine
CID 11137610
N-(2,2,5-trimethyl-1,3-dioxan-5-yl)formamide
CID 71350145
formic acid;1-methylcyclohexan-1-ol
CID 163667859
formic acid;methylmercury
CID 161039463
acetamide;formic acid
CID 19762194

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dioxolane;formic acid?
The IUPAC name of 2,2-dimethyl-1,3-dioxolane;formic acid (CID 142542540) is 2,2-dimethyl-1,3-dioxolane;formic acid.
What is the SMILES notation for 2,2-dimethyl-1,3-dioxolane;formic acid?
The canonical SMILES for 2,2-dimethyl-1,3-dioxolane;formic acid is CC1(C)OCCO1.O=CO.
What is the InChIKey of 2,2-dimethyl-1,3-dioxolane;formic acid?
The InChIKey is RAIZCCSSFWAJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.CH2O2/c1-5(2)6-3-4-7-5;2-1-3/h3-4H2,1-2H3;1H,(H,2,3).
What are the key properties of 2,2-dimethyl-1,3-dioxolane;formic acid?
2,2-dimethyl-1,3-dioxolane;formic acid has a molecular weight of 148.16 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dioxolane;formic acid is sourced from PubChem (CID 142542540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).