2-(dioxolan-3-yl)-2-methyl-1,3-dioxolane

C7H12O4 — CID 175228464

IUPAC2-(dioxolan-3-yl)-2-methyl-1,3-dioxolane
SMILESCC1(C2CCOO2)OCCO1
InChIInChI=1S/C7H12O4/c1-7(8-4-5-9-7)6-2-3-10-11-6/h6H,2-5H2,1H3
InChIKeyVZXJXUCQQQHWCR-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.47
Rot. Bonds1

About 2-(dioxolan-3-yl)-2-methyl-1,3-dioxolane

2-(dioxolan-3-yl)-2-methyl-1,3-dioxolane (PubChem CID 175228464) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-(dioxolan-3-yl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(dioxolan-3-yl)-2-methyl-1,3-dioxolane
PubChem CID175228464
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name2-(dioxolan-3-yl)-2-methyl-1,3-dioxolane
SMILESCC1(C2CCOO2)OCCO1
InChIInChI=1S/C7H12O4/c1-7(8-4-5-9-7)6-2-3-10-11-6/h6H,2-5H2,1H3
InChIKeyVZXJXUCQQQHWCR-UHFFFAOYSA-N
XLogP0.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-amine
CID 67491648
3-fluorodioxolane
CID 19010972
2-cyclopentyl-2-methyl-1,3-dioxane
CID 45098524
2-(2-methyl-1,3-dioxolan-2-yl)cyclopentan-1-one
CID 13112444
4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine
CID 11137610
(1R,2R,5R)-5-methyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-ol
CID 162453236
2-methyl-2-[(1R,2R)-2-methylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 10702587
N-methyl-4,6-bis[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 166226070
N-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohexanamine
CID 131153771
1-methyl-2-oxabicyclo[2.2.0]hexane
CID 119098021
(3R)-2,2-dimethyloxolan-3-ol
CID 13327311
3,3,5-trimethyl-1,2,4-trioxepane
CID 142598026

Frequently Asked Questions

What is the IUPAC name of 2-(dioxolan-3-yl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(dioxolan-3-yl)-2-methyl-1,3-dioxolane (CID 175228464) is 2-(dioxolan-3-yl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(dioxolan-3-yl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(dioxolan-3-yl)-2-methyl-1,3-dioxolane is CC1(C2CCOO2)OCCO1.
What is the InChIKey of 2-(dioxolan-3-yl)-2-methyl-1,3-dioxolane?
The InChIKey is VZXJXUCQQQHWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-7(8-4-5-9-7)6-2-3-10-11-6/h6H,2-5H2,1H3.
What are the key properties of 2-(dioxolan-3-yl)-2-methyl-1,3-dioxolane?
2-(dioxolan-3-yl)-2-methyl-1,3-dioxolane has a molecular weight of 160.17 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dioxolan-3-yl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 175228464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).