5-propoxy-1,4-dioxepane

C8H16O3 — CID 10964801

IUPAC5-propoxy-1,4-dioxepane
SMILESCCCOC1CCOCCO1
InChIInChI=1S/C8H16O3/c1-2-4-10-8-3-5-9-6-7-11-8/h8H,2-7H2,1H3
InChIKeyZRMGWFDQSJUCKT-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.18
Rot. Bonds3

About 5-propoxy-1,4-dioxepane

5-propoxy-1,4-dioxepane (PubChem CID 10964801) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 5-propoxy-1,4-dioxepane.

Molecular Properties

Compound Name5-propoxy-1,4-dioxepane
PubChem CID10964801
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name5-propoxy-1,4-dioxepane
SMILESCCCOC1CCOCCO1
InChIInChI=1S/C8H16O3/c1-2-4-10-8-3-5-9-6-7-11-8/h8H,2-7H2,1H3
InChIKeyZRMGWFDQSJUCKT-UHFFFAOYSA-N
XLogP1.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(2-methylpropoxy)-1,3-dioxane
CID 150506704
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CID 70907878
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CID 14435554

Frequently Asked Questions

What is the IUPAC name of 5-propoxy-1,4-dioxepane?
The IUPAC name of 5-propoxy-1,4-dioxepane (CID 10964801) is 5-propoxy-1,4-dioxepane.
What is the SMILES notation for 5-propoxy-1,4-dioxepane?
The canonical SMILES for 5-propoxy-1,4-dioxepane is CCCOC1CCOCCO1.
What is the InChIKey of 5-propoxy-1,4-dioxepane?
The InChIKey is ZRMGWFDQSJUCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-2-4-10-8-3-5-9-6-7-11-8/h8H,2-7H2,1H3.
What are the key properties of 5-propoxy-1,4-dioxepane?
5-propoxy-1,4-dioxepane has a molecular weight of 160.21 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxy-1,4-dioxepane is sourced from PubChem (CID 10964801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).