3-(1,4-dioxaspiro[4.5]decan-6-yl)propan-1-ol

C11H20O3 — CID 10726710

IUPAC3-(1,4-dioxaspiro[4.5]decan-6-yl)propan-1-ol
SMILESOCCCC1CCCCC12OCCO2
InChIInChI=1S/C11H20O3/c12-7-3-5-10-4-1-2-6-11(10)13-8-9-14-11/h10,12H,1-9H2
InChIKeyMMDXIPULJZAKKT-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.69
Rot. Bonds3

About 3-(1,4-dioxaspiro[4.5]decan-6-yl)propan-1-ol

3-(1,4-dioxaspiro[4.5]decan-6-yl)propan-1-ol (PubChem CID 10726710) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(1,4-dioxaspiro[4.5]decan-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,4-dioxaspiro[4.5]decan-6-yl)propan-1-ol
PubChem CID10726710
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name3-(1,4-dioxaspiro[4.5]decan-6-yl)propan-1-ol
SMILESOCCCC1CCCCC12OCCO2
InChIInChI=1S/C11H20O3/c12-7-3-5-10-4-1-2-6-11(10)13-8-9-14-11/h10,12H,1-9H2
InChIKeyMMDXIPULJZAKKT-UHFFFAOYSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,4-dioxaspiro[4.5]decan-6-yl)propan-1-ol 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 3-(1,4-dioxaspiro[4.5]decan-6-yl)propan-1-ol?
The IUPAC name of 3-(1,4-dioxaspiro[4.5]decan-6-yl)propan-1-ol (CID 10726710) is 3-(1,4-dioxaspiro[4.5]decan-6-yl)propan-1-ol.
What is the SMILES notation for 3-(1,4-dioxaspiro[4.5]decan-6-yl)propan-1-ol?
The canonical SMILES for 3-(1,4-dioxaspiro[4.5]decan-6-yl)propan-1-ol is OCCCC1CCCCC12OCCO2.
What is the InChIKey of 3-(1,4-dioxaspiro[4.5]decan-6-yl)propan-1-ol?
The InChIKey is MMDXIPULJZAKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c12-7-3-5-10-4-1-2-6-11(10)13-8-9-14-11/h10,12H,1-9H2.
What are the key properties of 3-(1,4-dioxaspiro[4.5]decan-6-yl)propan-1-ol?
3-(1,4-dioxaspiro[4.5]decan-6-yl)propan-1-ol has a molecular weight of 200.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxaspiro[4.5]decan-6-yl)propan-1-ol is sourced from PubChem (CID 10726710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).