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

C10H20O3 — CID 70483139

IUPAC4-hexyl-2-methoxy-1,3-dioxolane
SMILESCCCCCCC1COC(OC)O1
InChIInChI=1S/C10H20O3/c1-3-4-5-6-7-9-8-12-10(11-2)13-9/h9-10H,3-8H2,1-2H3
InChIKeyLBANROLVFDLXGT-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.30
Rot. Bonds6

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

4-hexyl-2-methoxy-1,3-dioxolane (PubChem CID 70483139) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-hexyl-2-methoxy-1,3-dioxolane.

Molecular Properties

Compound Name4-hexyl-2-methoxy-1,3-dioxolane
PubChem CID70483139
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name4-hexyl-2-methoxy-1,3-dioxolane
SMILESCCCCCCC1COC(OC)O1
InChIInChI=1S/C10H20O3/c1-3-4-5-6-7-9-8-12-10(11-2)13-9/h9-10H,3-8H2,1-2H3
InChIKeyLBANROLVFDLXGT-UHFFFAOYSA-N
XLogP2.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2-methoxy-1,3-dioxolane?
The IUPAC name of 4-hexyl-2-methoxy-1,3-dioxolane (CID 70483139) is 4-hexyl-2-methoxy-1,3-dioxolane.
What is the SMILES notation for 4-hexyl-2-methoxy-1,3-dioxolane?
The canonical SMILES for 4-hexyl-2-methoxy-1,3-dioxolane is CCCCCCC1COC(OC)O1.
What is the InChIKey of 4-hexyl-2-methoxy-1,3-dioxolane?
The InChIKey is LBANROLVFDLXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-4-5-6-7-9-8-12-10(11-2)13-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-hexyl-2-methoxy-1,3-dioxolane?
4-hexyl-2-methoxy-1,3-dioxolane has a molecular weight of 188.27 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2-methoxy-1,3-dioxolane is sourced from PubChem (CID 70483139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).