7-amino-1,4-dioxaspiro[4.5]decan-8-ol

C8H15NO3 — CID 76655508

IUPAC7-amino-1,4-dioxaspiro[4.5]decan-8-ol
SMILESNC1CC2(CCC1O)OCCO2
InChIInChI=1S/C8H15NO3/c9-6-5-8(2-1-7(6)10)11-3-4-12-8/h6-7,10H,1-5,9H2
InChIKeyFGTDXDGJLWGDLI-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.40
Rot. Bonds

About 7-amino-1,4-dioxaspiro[4.5]decan-8-ol

7-amino-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 76655508) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 7-amino-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name7-amino-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID76655508
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name7-amino-1,4-dioxaspiro[4.5]decan-8-ol
SMILESNC1CC2(CCC1O)OCCO2
InChIInChI=1S/C8H15NO3/c9-6-5-8(2-1-7(6)10)11-3-4-12-8/h6-7,10H,1-5,9H2
InChIKeyFGTDXDGJLWGDLI-UHFFFAOYSA-N
XLogP-0.40
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 7-amino-1,4-dioxaspiro[4.5]decan-8-ol (CID 76655508) is 7-amino-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 7-amino-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 7-amino-1,4-dioxaspiro[4.5]decan-8-ol is NC1CC2(CCC1O)OCCO2.
What is the InChIKey of 7-amino-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is FGTDXDGJLWGDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c9-6-5-8(2-1-7(6)10)11-3-4-12-8/h6-7,10H,1-5,9H2.
What are the key properties of 7-amino-1,4-dioxaspiro[4.5]decan-8-ol?
7-amino-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 173.21 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 76655508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).