2-butyl-4-methoxy-1,3-dioxolane

C8H16O3 — CID 174705925

IUPAC2-butyl-4-methoxy-1,3-dioxolane
SMILESCCCCC1OCC(OC)O1
InChIInChI=1S/C8H16O3/c1-3-4-5-7-10-6-8(9-2)11-7/h7-8H,3-6H2,1-2H3
InChIKeyNETPEDURAJUUAV-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.52
Rot. Bonds4

About 2-butyl-4-methoxy-1,3-dioxolane

2-butyl-4-methoxy-1,3-dioxolane (PubChem CID 174705925) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-butyl-4-methoxy-1,3-dioxolane.

Molecular Properties

Compound Name2-butyl-4-methoxy-1,3-dioxolane
PubChem CID174705925
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-butyl-4-methoxy-1,3-dioxolane
SMILESCCCCC1OCC(OC)O1
InChIInChI=1S/C8H16O3/c1-3-4-5-7-10-6-8(9-2)11-7/h7-8H,3-6H2,1-2H3
InChIKeyNETPEDURAJUUAV-UHFFFAOYSA-N
XLogP1.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-methoxy-1,3-dioxolane?
The IUPAC name of 2-butyl-4-methoxy-1,3-dioxolane (CID 174705925) is 2-butyl-4-methoxy-1,3-dioxolane.
What is the SMILES notation for 2-butyl-4-methoxy-1,3-dioxolane?
The canonical SMILES for 2-butyl-4-methoxy-1,3-dioxolane is CCCCC1OCC(OC)O1.
What is the InChIKey of 2-butyl-4-methoxy-1,3-dioxolane?
The InChIKey is NETPEDURAJUUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-4-5-7-10-6-8(9-2)11-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-butyl-4-methoxy-1,3-dioxolane?
2-butyl-4-methoxy-1,3-dioxolane has a molecular weight of 160.21 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methoxy-1,3-dioxolane is sourced from PubChem (CID 174705925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).