1,4-dioxaspiro[4.5]decan-7-ylmethanol

C9H16O3 — CID 588050

IUPAC1,4-dioxaspiro[4.5]decan-7-ylmethanol
SMILESOCC1CCCC2(C1)OCCO2
InChIInChI=1S/C9H16O3/c10-7-8-2-1-3-9(6-8)11-4-5-12-9/h8,10H,1-7H2
InChIKeyFTPPLFRLOOBHLN-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.91
Rot. Bonds1

About 1,4-dioxaspiro[4.5]decan-7-ylmethanol

1,4-dioxaspiro[4.5]decan-7-ylmethanol (PubChem CID 588050) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]decan-7-ylmethanol.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]decan-7-ylmethanol
PubChem CID588050
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name1,4-dioxaspiro[4.5]decan-7-ylmethanol
SMILESOCC1CCCC2(C1)OCCO2
InChIInChI=1S/C9H16O3/c10-7-8-2-1-3-9(6-8)11-4-5-12-9/h8,10H,1-7H2
InChIKeyFTPPLFRLOOBHLN-UHFFFAOYSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,4-dioxaspiro[4.5]decan-7-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.5]decan-7-ylmethanol?
The IUPAC name of 1,4-dioxaspiro[4.5]decan-7-ylmethanol (CID 588050) is 1,4-dioxaspiro[4.5]decan-7-ylmethanol.
What is the SMILES notation for 1,4-dioxaspiro[4.5]decan-7-ylmethanol?
The canonical SMILES for 1,4-dioxaspiro[4.5]decan-7-ylmethanol is OCC1CCCC2(C1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.5]decan-7-ylmethanol?
The InChIKey is FTPPLFRLOOBHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c10-7-8-2-1-3-9(6-8)11-4-5-12-9/h8,10H,1-7H2.
What are the key properties of 1,4-dioxaspiro[4.5]decan-7-ylmethanol?
1,4-dioxaspiro[4.5]decan-7-ylmethanol has a molecular weight of 172.22 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]decan-7-ylmethanol is sourced from PubChem (CID 588050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).