3-(1,4-dioxaspiro[4.4]nonan-9-yl)propan-1-ol

C10H18O3 — CID 11819772

IUPAC3-(1,4-dioxaspiro[4.4]nonan-9-yl)propan-1-ol
SMILESOCCCC1CCCC12OCCO2
InChIInChI=1S/C10H18O3/c11-6-2-4-9-3-1-5-10(9)12-7-8-13-10/h9,11H,1-8H2
InChIKeyGPNFULAKZOZDQN-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.30
Rot. Bonds3

About 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propan-1-ol

3-(1,4-dioxaspiro[4.4]nonan-9-yl)propan-1-ol (PubChem CID 11819772) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,4-dioxaspiro[4.4]nonan-9-yl)propan-1-ol
PubChem CID11819772
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-(1,4-dioxaspiro[4.4]nonan-9-yl)propan-1-ol
SMILESOCCCC1CCCC12OCCO2
InChIInChI=1S/C10H18O3/c11-6-2-4-9-3-1-5-10(9)12-7-8-13-10/h9,11H,1-8H2
InChIKeyGPNFULAKZOZDQN-UHFFFAOYSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propan-1-ol?
The IUPAC name of 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propan-1-ol (CID 11819772) is 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propan-1-ol.
What is the SMILES notation for 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propan-1-ol?
The canonical SMILES for 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propan-1-ol is OCCCC1CCCC12OCCO2.
What is the InChIKey of 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propan-1-ol?
The InChIKey is GPNFULAKZOZDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c11-6-2-4-9-3-1-5-10(9)12-7-8-13-10/h9,11H,1-8H2.
What are the key properties of 3-(1,4-dioxaspiro[4.4]nonan-9-yl)propan-1-ol?
3-(1,4-dioxaspiro[4.4]nonan-9-yl)propan-1-ol has a molecular weight of 186.25 g/mol, XLogP of 1.30, 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[4.4]nonan-9-yl)propan-1-ol is sourced from PubChem (CID 11819772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).