1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol

C16H26N2O3 — CID 115990440

IUPAC1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
SMILESCCc1nn(C)cc1C(O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H26N2O3/c1-3-14-13(11-18(2)17-14)15(19)12-4-7-21-16(10-12)5-8-20-9-6-16/h11-12,15,19H,3-10H2,1-2H3
InChIKeyUVAQKBYKKBAVNA-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.99
Rot. Bonds3

About 1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol

1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol (PubChem CID 115990440) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
PubChem CID115990440
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
SMILESCCc1nn(C)cc1C(O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H26N2O3/c1-3-14-13(11-18(2)17-14)15(19)12-4-7-21-16(10-12)5-8-20-9-6-16/h11-12,15,19H,3-10H2,1-2H3
InChIKeyUVAQKBYKKBAVNA-UHFFFAOYSA-N
XLogP1.99
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethyl-1-methylpyrazol-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115990432
(3-ethyl-1-methylpyrazol-4-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 102812619
1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol
CID 105113872
1-(1,3-dimethylpyrazol-4-yl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylmethanamine
CID 102804139
(3-ethyl-6-methylpyridazin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116217
1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol
CID 82732432
(1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 102804203
(3-ethyl-1-methylpyrazol-5-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116233
(3-ethyl-1-methylpyrazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 102811812
2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol
CID 79912400
2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol
CID 79899764
(2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79902767

Frequently Asked Questions

What is the IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol?
The IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol (CID 115990440) is 1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for 1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol?
The canonical SMILES for 1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol is CCc1nn(C)cc1C(O)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol?
The InChIKey is UVAQKBYKKBAVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-14-13(11-18(2)17-14)15(19)12-4-7-21-16(10-12)5-8-20-9-6-16/h11-12,15,19H,3-10H2,1-2H3.
What are the key properties of 1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol?
1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol has a molecular weight of 294.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 115990440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).