2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol

C14H22N2O3 — CID 79912400

IUPAC2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol
SMILESCCn1cncc1C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H22N2O3/c1-2-16-10-15-8-12(16)13(17)11-3-5-19-14(7-11)4-6-18-9-14/h8,10-11,13,17H,2-7,9H2,1H3
InChIKeyXJVFEJWYZIMVOE-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.52
Rot. Bonds3

About 2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol

2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol (PubChem CID 79912400) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol
PubChem CID79912400
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol
SMILESCCn1cncc1C(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H22N2O3/c1-2-16-10-15-8-12(16)13(17)11-3-5-19-14(7-11)4-6-18-9-14/h8,10-11,13,17H,2-7,9H2,1H3
InChIKeyXJVFEJWYZIMVOE-UHFFFAOYSA-N
XLogP1.52
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethylimidazol-4-yl)-(oxolan-3-yl)methanol
CID 66132890
N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 82888518
5-oxaspiro[3.5]nonan-8-yl-(3-propan-2-ylimidazol-4-yl)methanol
CID 79913885
2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol
CID 79899764
(3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116233
2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol
CID 105116403
3-[(3-ethylimidazol-4-yl)-hydroxymethyl]oxolane-3-carbonitrile
CID 79127086
2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105116344
1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 115990440
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol
CID 103459636
(3-cyclopropylimidazol-4-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79907456
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913271

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol (CID 79912400) is 2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol is CCn1cncc1C(O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol?
The InChIKey is XJVFEJWYZIMVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-16-10-15-8-12(16)13(17)11-3-5-19-14(7-11)4-6-18-9-14/h8,10-11,13,17H,2-7,9H2,1H3.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol?
2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol has a molecular weight of 266.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol is sourced from PubChem (CID 79912400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).