1,3-dioxol-2-one;methane

C5H10O3 — CID 175544441

IUPAC1,3-dioxol-2-one;methane
SMILESC.C.O=c1occo1
InChIInChI=1S/C3H2O3.2CH4/c4-3-5-1-2-6-3;;/h1-2H;2*1H4
InChIKeyXTCXQSCNDMIEAQ-UHFFFAOYSA-N
MW118.13 g/mol
LogP1.50
Rot. Bonds

About 1,3-dioxol-2-one;methane

1,3-dioxol-2-one;methane (PubChem CID 175544441) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 1,3-dioxol-2-one;methane.

Molecular Properties

Compound Name1,3-dioxol-2-one;methane
PubChem CID175544441
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name1,3-dioxol-2-one;methane
SMILESC.C.O=c1occo1
InChIInChI=1S/C3H2O3.2CH4/c4-3-5-1-2-6-3;;/h1-2H;2*1H4
InChIKeyXTCXQSCNDMIEAQ-UHFFFAOYSA-N
XLogP1.50
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dioxole, 2,2-dimethyl-
CID 9877346
Ethyl 1-methoxyethenyl carbonate
CID 12632739
Ethyl vinyl carbonate
CID 13668430
Ethenyl methyl carbonate
CID 14122296
Diethenyl carbonate
CID 15079962
1,3-Dioxol-2-one;ethenyl acetate
CID 66777759
1-(Ethenyloxy)-1-methoxyethene
CID 71403326
[(E)-2-fluoroethenyl] methyl carbonate
CID 89437388
2-Fluoroethenyl methyl carbonate
CID 123799779
Butane;1,3-dioxole
CID 160808725
Carbonic acid, butyl ethenyl ester
CID 9964129
Ethenyl methoxymethyl carbonate
CID 22266999

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxol-2-one;methane?
The IUPAC name of 1,3-dioxol-2-one;methane (CID 175544441) is 1,3-dioxol-2-one;methane.
What is the SMILES notation for 1,3-dioxol-2-one;methane?
The canonical SMILES for 1,3-dioxol-2-one;methane is C.C.O=c1occo1.
What is the InChIKey of 1,3-dioxol-2-one;methane?
The InChIKey is XTCXQSCNDMIEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2O3.2CH4/c4-3-5-1-2-6-3;;/h1-2H;2*1H4.
What are the key properties of 1,3-dioxol-2-one;methane?
1,3-dioxol-2-one;methane has a molecular weight of 118.13 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxol-2-one;methane is sourced from PubChem (CID 175544441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).