3-propyl-1,4-dioxaspiro[4.4]nonane

C10H18O2 — CID 14592507

IUPAC3-propyl-1,4-dioxaspiro[4.4]nonane
SMILESCCCC1COC2(CCCC2)O1
InChIInChI=1S/C10H18O2/c1-2-5-9-8-11-10(12-9)6-3-4-7-10/h9H,2-8H2,1H3
InChIKeyZIUDGHWRZSFCFB-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.47
Rot. Bonds2

About 3-propyl-1,4-dioxaspiro[4.4]nonane

3-propyl-1,4-dioxaspiro[4.4]nonane (PubChem CID 14592507) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-propyl-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name3-propyl-1,4-dioxaspiro[4.4]nonane
PubChem CID14592507
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-propyl-1,4-dioxaspiro[4.4]nonane
SMILESCCCC1COC2(CCCC2)O1
InChIInChI=1S/C10H18O2/c1-2-5-9-8-11-10(12-9)6-3-4-7-10/h9H,2-8H2,1H3
InChIKeyZIUDGHWRZSFCFB-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of 3-propyl-1,4-dioxaspiro[4.4]nonane (CID 14592507) is 3-propyl-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for 3-propyl-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for 3-propyl-1,4-dioxaspiro[4.4]nonane is CCCC1COC2(CCCC2)O1.
What is the InChIKey of 3-propyl-1,4-dioxaspiro[4.4]nonane?
The InChIKey is ZIUDGHWRZSFCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-5-9-8-11-10(12-9)6-3-4-7-10/h9H,2-8H2,1H3.
What are the key properties of 3-propyl-1,4-dioxaspiro[4.4]nonane?
3-propyl-1,4-dioxaspiro[4.4]nonane has a molecular weight of 170.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 14592507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).