1-[[(3R)-2,8-dioxaspiro[4.5]decan-3-yl]methyl]-2-ethylimidazole

C14H22N2O2 — CID 164630688

IUPAC1-[[(3R)-2,8-dioxaspiro[4.5]decan-3-yl]methyl]-2-ethylimidazole
SMILESCCc1nccn1C[C@H]1CC2(CCOCC2)CO1
InChIInChI=1S/C14H22N2O2/c1-2-13-15-5-6-16(13)10-12-9-14(11-18-12)3-7-17-8-4-14/h5-6,12H,2-4,7-11H2,1H3/t12-/m1/s1
InChIKeyWWJVJYCPNKVFTN-GFCCVEGCSA-N
MW250.34 g/mol
LogP2.03
Rot. Bonds3

About 1-[[(3R)-2,8-dioxaspiro[4.5]decan-3-yl]methyl]-2-ethylimidazole

1-[[(3R)-2,8-dioxaspiro[4.5]decan-3-yl]methyl]-2-ethylimidazole (PubChem CID 164630688) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[[(3R)-2,8-dioxaspiro[4.5]decan-3-yl]methyl]-2-ethylimidazole.

Molecular Properties

Compound Name1-[[(3R)-2,8-dioxaspiro[4.5]decan-3-yl]methyl]-2-ethylimidazole
PubChem CID164630688
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[[(3R)-2,8-dioxaspiro[4.5]decan-3-yl]methyl]-2-ethylimidazole
SMILESCCc1nccn1C[C@H]1CC2(CCOCC2)CO1
InChIInChI=1S/C14H22N2O2/c1-2-13-15-5-6-16(13)10-12-9-14(11-18-12)3-7-17-8-4-14/h5-6,12H,2-4,7-11H2,1H3/t12-/m1/s1
InChIKeyWWJVJYCPNKVFTN-GFCCVEGCSA-N
XLogP2.03
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-2,8-dioxaspiro[4.5]decan-3-yl]methyl]-2-ethylimidazole?
The IUPAC name of 1-[[(3R)-2,8-dioxaspiro[4.5]decan-3-yl]methyl]-2-ethylimidazole (CID 164630688) is 1-[[(3R)-2,8-dioxaspiro[4.5]decan-3-yl]methyl]-2-ethylimidazole.
What is the SMILES notation for 1-[[(3R)-2,8-dioxaspiro[4.5]decan-3-yl]methyl]-2-ethylimidazole?
The canonical SMILES for 1-[[(3R)-2,8-dioxaspiro[4.5]decan-3-yl]methyl]-2-ethylimidazole is CCc1nccn1C[C@H]1CC2(CCOCC2)CO1.
What is the InChIKey of 1-[[(3R)-2,8-dioxaspiro[4.5]decan-3-yl]methyl]-2-ethylimidazole?
The InChIKey is WWJVJYCPNKVFTN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-13-15-5-6-16(13)10-12-9-14(11-18-12)3-7-17-8-4-14/h5-6,12H,2-4,7-11H2,1H3/t12-/m1/s1.
What are the key properties of 1-[[(3R)-2,8-dioxaspiro[4.5]decan-3-yl]methyl]-2-ethylimidazole?
1-[[(3R)-2,8-dioxaspiro[4.5]decan-3-yl]methyl]-2-ethylimidazole has a molecular weight of 250.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-2,8-dioxaspiro[4.5]decan-3-yl]methyl]-2-ethylimidazole is sourced from PubChem (CID 164630688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).