1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol

C12H20O3 — CID 13483391

IUPAC1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol
SMILESC=CCC(O)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C12H20O3/c1-2-6-10(13)11-9-14-12(15-11)7-4-3-5-8-12/h2,10-11,13H,1,3-9H2/t10?,11-/m1/s1
InChIKeyAJFFLKCZKYLJJZ-RRKGBCIJSA-N
MW212.29 g/mol
LogP2.00
Rot. Bonds3

About 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol

1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol (PubChem CID 13483391) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol.

Molecular Properties

Compound Name1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol
PubChem CID13483391
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol
SMILESC=CCC(O)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C12H20O3/c1-2-6-10(13)11-9-14-12(15-11)7-4-3-5-8-12/h2,10-11,13H,1,3-9H2/t10?,11-/m1/s1
InChIKeyAJFFLKCZKYLJJZ-RRKGBCIJSA-N
XLogP2.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enyl] acetate
CID 102479753
(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-ol
CID 10353745
(1S)-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]pentadecan-1-ol
CID 100962398
(1S)-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]heptan-1-ol
CID 100962399
(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-iodoprop-2-en-1-ol
CID 23656042
1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol
CID 22856131
(3S)-3-[(2R)-1-phenylmethoxypent-4-en-2-yl]-1,4-dioxaspiro[4.5]decane
CID 71477674
1-(oxiran-2-yl)but-3-en-1-ol
CID 11126217
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-2-ol
CID 62707054
(2S)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2-hydroxyacetonitrile
CID 101092825
[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enyl] 4-nitrobenzoate
CID 134845532
tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane
CID 11597593

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol?
The IUPAC name of 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol (CID 13483391) is 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol.
What is the SMILES notation for 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol?
The canonical SMILES for 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol is C=CCC(O)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol?
The InChIKey is AJFFLKCZKYLJJZ-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-6-10(13)11-9-14-12(15-11)7-4-3-5-8-12/h2,10-11,13H,1,3-9H2/t10?,11-/m1/s1.
What are the key properties of 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol?
1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol has a molecular weight of 212.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol is sourced from PubChem (CID 13483391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).