ethane;methane;2-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene

C12H28O3 — CID 162203240

IUPACethane;methane;2-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene
SMILESC.C=CC.CC.COCC1(C)OCCO1
InChIInChI=1S/C6H12O3.C3H6.C2H6.CH4/c1-6(5-7-2)8-3-4-9-6;1-3-2;1-2;/h3-5H2,1-2H3;3H,1H2,2H3;1-2H3;1H4
InChIKeyZRVXBJFVNNXKOD-UHFFFAOYSA-N
MW220.35 g/mol
LogP3.25
Rot. Bonds2

About ethane;methane;2-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene

ethane;methane;2-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene (PubChem CID 162203240) has the molecular formula C12H28O3 and a molecular weight of 220.35 g/mol. Its IUPAC name is ethane;methane;2-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene.

Molecular Properties

Compound Nameethane;methane;2-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene
PubChem CID162203240
Molecular FormulaC12H28O3
Molecular Weight220.35 g/mol
Exact Mass220.20
IUPAC Nameethane;methane;2-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene
SMILESC.C=CC.CC.COCC1(C)OCCO1
InChIInChI=1S/C6H12O3.C3H6.C2H6.CH4/c1-6(5-7-2)8-3-4-9-6;1-3-2;1-2;/h3-5H2,1-2H3;3H,1H2,2H3;1-2H3;1H4
InChIKeyZRVXBJFVNNXKOD-UHFFFAOYSA-N
XLogP3.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene?
The IUPAC name of ethane;methane;2-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene (CID 162203240) is ethane;methane;2-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene.
What is the SMILES notation for ethane;methane;2-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene?
The canonical SMILES for ethane;methane;2-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene is C.C=CC.CC.COCC1(C)OCCO1.
What is the InChIKey of ethane;methane;2-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene?
The InChIKey is ZRVXBJFVNNXKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C3H6.C2H6.CH4/c1-6(5-7-2)8-3-4-9-6;1-3-2;1-2;/h3-5H2,1-2H3;3H,1H2,2H3;1-2H3;1H4.
What are the key properties of ethane;methane;2-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene?
ethane;methane;2-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene has a molecular weight of 220.35 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-(methoxymethyl)-2-methyl-1,3-dioxolane;prop-1-ene is sourced from PubChem (CID 162203240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).