2-(1,4-dioxaspiro[4.4]nonan-8-yl)ethanol

C9H16O3 — CID 67229388

IUPAC2-(1,4-dioxaspiro[4.4]nonan-8-yl)ethanol
SMILESOCCC1CCC2(C1)OCCO2
InChIInChI=1S/C9H16O3/c10-4-2-8-1-3-9(7-8)11-5-6-12-9/h8,10H,1-7H2
InChIKeyLSYDOMZABDDFTK-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.91
Rot. Bonds2

About 2-(1,4-dioxaspiro[4.4]nonan-8-yl)ethanol

2-(1,4-dioxaspiro[4.4]nonan-8-yl)ethanol (PubChem CID 67229388) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.4]nonan-8-yl)ethanol.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.4]nonan-8-yl)ethanol
PubChem CID67229388
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-(1,4-dioxaspiro[4.4]nonan-8-yl)ethanol
SMILESOCCC1CCC2(C1)OCCO2
InChIInChI=1S/C9H16O3/c10-4-2-8-1-3-9(7-8)11-5-6-12-9/h8,10H,1-7H2
InChIKeyLSYDOMZABDDFTK-UHFFFAOYSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

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Related Compounds

1,4-Dioxaspiro[4.5]decan-8-ylmethanol
CID 10080838
1,4-Dioxaspiro[4.4]non-7-ylmethanol
CID 567468
1,4-Dioxaspiro[4.4]nonane, 7,8-bis(hydroxymethyl)-
CID 593822
1,4-Dioxaspiro[4.5]decane-7-ethanol, (7S)-
CID 11206230
2-(1,4-Dioxaspiro[4.5]decan-7-yl)ethan-1-ol
CID 57828993
1,4-Dioxaspiro[4.5]decane-6-propanol
CID 10726710
(3s)-4-[(4r)-2,2-Dimethyl-1,3-dioxolan-4-yl]-3-methylbutan-1-ol
CID 129751645
Cyclopentane, 1-(S)-(2-methyl-1,3-dioxolan-2-yl)-2-(R)-(2-hydroxyethyl)-4-(R)-(2-methoxyethoxymethoxy)-
CID 560113
3-(1,4-Dioxaspiro[4.4]nonan-9-yl)propan-1-ol
CID 11819772
1-[3-(1,3-Dioxolan-2-yl)propyl]cyclopentan-1-ol
CID 14905210
[(3aR,6aS)-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-5-yl]methanol, Mixture of diastereomers
CID 12717274
[(7R,8R)-8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol
CID 13235312

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.4]nonan-8-yl)ethanol?
The IUPAC name of 2-(1,4-dioxaspiro[4.4]nonan-8-yl)ethanol (CID 67229388) is 2-(1,4-dioxaspiro[4.4]nonan-8-yl)ethanol.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.4]nonan-8-yl)ethanol?
The canonical SMILES for 2-(1,4-dioxaspiro[4.4]nonan-8-yl)ethanol is OCCC1CCC2(C1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.4]nonan-8-yl)ethanol?
The InChIKey is LSYDOMZABDDFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c10-4-2-8-1-3-9(7-8)11-5-6-12-9/h8,10H,1-7H2.
What are the key properties of 2-(1,4-dioxaspiro[4.4]nonan-8-yl)ethanol?
2-(1,4-dioxaspiro[4.4]nonan-8-yl)ethanol has a molecular weight of 172.22 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.4]nonan-8-yl)ethanol is sourced from PubChem (CID 67229388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).