2,4-dimethyl-1,3-dioxolane;methane

C6H14O2 — CID 162253939

IUPAC2,4-dimethyl-1,3-dioxolane;methane
SMILESC.CC1COC(C)O1
InChIInChI=1S/C5H10O2.CH4/c1-4-3-6-5(2)7-4;/h4-5H,3H2,1-2H3;1H4
InChIKeyZYIUFVNVHROKMU-UHFFFAOYSA-N
MW118.18 g/mol
LogP1.40
Rot. Bonds

About 2,4-dimethyl-1,3-dioxolane;methane

2,4-dimethyl-1,3-dioxolane;methane (PubChem CID 162253939) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-dioxolane;methane.

Molecular Properties

Compound Name2,4-dimethyl-1,3-dioxolane;methane
PubChem CID162253939
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name2,4-dimethyl-1,3-dioxolane;methane
SMILESC.CC1COC(C)O1
InChIInChI=1S/C5H10O2.CH4/c1-4-3-6-5(2)7-4;/h4-5H,3H2,1-2H3;1H4
InChIKeyZYIUFVNVHROKMU-UHFFFAOYSA-N
XLogP1.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-dioxolane;methane?
The IUPAC name of 2,4-dimethyl-1,3-dioxolane;methane (CID 162253939) is 2,4-dimethyl-1,3-dioxolane;methane.
What is the SMILES notation for 2,4-dimethyl-1,3-dioxolane;methane?
The canonical SMILES for 2,4-dimethyl-1,3-dioxolane;methane is C.CC1COC(C)O1.
What is the InChIKey of 2,4-dimethyl-1,3-dioxolane;methane?
The InChIKey is ZYIUFVNVHROKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.CH4/c1-4-3-6-5(2)7-4;/h4-5H,3H2,1-2H3;1H4.
What are the key properties of 2,4-dimethyl-1,3-dioxolane;methane?
2,4-dimethyl-1,3-dioxolane;methane has a molecular weight of 118.18 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-dioxolane;methane is sourced from PubChem (CID 162253939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).