4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-1-propylpyrazole

C15H24N2O3 — CID 116805130

IUPAC4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-1-propylpyrazole
SMILESCCCn1cc(OC2CCOC3(CCOCC3)C2)cn1
InChIInChI=1S/C15H24N2O3/c1-2-6-17-12-14(11-16-17)20-13-3-7-19-15(10-13)4-8-18-9-5-15/h11-13H,2-10H2,1H3
InChIKeyKSEZXMIUMDVSOO-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.40
Rot. Bonds4

About 4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-1-propylpyrazole

4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-1-propylpyrazole (PubChem CID 116805130) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-1-propylpyrazole.

Molecular Properties

Compound Name4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-1-propylpyrazole
PubChem CID116805130
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-1-propylpyrazole
SMILESCCCn1cc(OC2CCOC3(CCOCC3)C2)cn1
InChIInChI=1S/C15H24N2O3/c1-2-6-17-12-14(11-16-17)20-13-3-7-19-15(10-13)4-8-18-9-5-15/h11-13H,2-10H2,1H3
InChIKeyKSEZXMIUMDVSOO-UHFFFAOYSA-N
XLogP2.40
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-1-propylpyrazole?
The IUPAC name of 4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-1-propylpyrazole (CID 116805130) is 4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-1-propylpyrazole.
What is the SMILES notation for 4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-1-propylpyrazole?
The canonical SMILES for 4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-1-propylpyrazole is CCCn1cc(OC2CCOC3(CCOCC3)C2)cn1.
What is the InChIKey of 4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-1-propylpyrazole?
The InChIKey is KSEZXMIUMDVSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-6-17-12-14(11-16-17)20-13-3-7-19-15(10-13)4-8-18-9-5-15/h11-13H,2-10H2,1H3.
What are the key properties of 4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-1-propylpyrazole?
4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-1-propylpyrazole has a molecular weight of 280.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-1-propylpyrazole is sourced from PubChem (CID 116805130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).