3-propyl-1,5-dioxaspiro[5.5]undecane

C12H22O2 — CID 56608379

IUPAC3-propyl-1,5-dioxaspiro[5.5]undecane
SMILESCCCC1COC2(CCCCC2)OC1
InChIInChI=1S/C12H22O2/c1-2-6-11-9-13-12(14-10-11)7-4-3-5-8-12/h11H,2-10H2,1H3
InChIKeyKGGGDZKNZHGKHU-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.11
Rot. Bonds2

About 3-propyl-1,5-dioxaspiro[5.5]undecane

3-propyl-1,5-dioxaspiro[5.5]undecane (PubChem CID 56608379) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-propyl-1,5-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name3-propyl-1,5-dioxaspiro[5.5]undecane
PubChem CID56608379
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-propyl-1,5-dioxaspiro[5.5]undecane
SMILESCCCC1COC2(CCCCC2)OC1
InChIInChI=1S/C12H22O2/c1-2-6-11-9-13-12(14-10-11)7-4-3-5-8-12/h11H,2-10H2,1H3
InChIKeyKGGGDZKNZHGKHU-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,5-dioxaspiro[5.5]undecane?
The IUPAC name of 3-propyl-1,5-dioxaspiro[5.5]undecane (CID 56608379) is 3-propyl-1,5-dioxaspiro[5.5]undecane.
What is the SMILES notation for 3-propyl-1,5-dioxaspiro[5.5]undecane?
The canonical SMILES for 3-propyl-1,5-dioxaspiro[5.5]undecane is CCCC1COC2(CCCCC2)OC1.
What is the InChIKey of 3-propyl-1,5-dioxaspiro[5.5]undecane?
The InChIKey is KGGGDZKNZHGKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-6-11-9-13-12(14-10-11)7-4-3-5-8-12/h11H,2-10H2,1H3.
What are the key properties of 3-propyl-1,5-dioxaspiro[5.5]undecane?
3-propyl-1,5-dioxaspiro[5.5]undecane has a molecular weight of 198.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,5-dioxaspiro[5.5]undecane is sourced from PubChem (CID 56608379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).