1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol

C17H25NO3 — CID 82732432

IUPAC1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol
SMILESCCc1cccnc1C(O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H25NO3/c1-2-13-4-3-8-18-15(13)16(19)14-5-9-21-17(12-14)6-10-20-11-7-17/h3-4,8,14,16,19H,2,5-7,9-12H2,1H3
InChIKeyGLEFSSNOIOFUNL-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.65
Rot. Bonds3

About 1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol

1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol (PubChem CID 82732432) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol
PubChem CID82732432
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol
SMILESCCc1cccnc1C(O)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H25NO3/c1-2-13-4-3-8-18-15(13)16(19)14-5-9-21-17(12-14)6-10-20-11-7-17/h3-4,8,14,16,19H,2,5-7,9-12H2,1H3
InChIKeyGLEFSSNOIOFUNL-UHFFFAOYSA-N
XLogP2.65
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 103443445
(4-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanol
CID 82731157
1,9-dioxaspiro[5.5]undecan-4-yl-(4-ethylthiadiazol-5-yl)methanol
CID 105113872
1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 115990440
(2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79898859
2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol
CID 79899764
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105113831
(4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79900364
(2,3-difluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79906842
(2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79902767
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyridin-2-ylethanol
CID 79921089
N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 82737815

Frequently Asked Questions

What is the IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol?
The IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol (CID 82732432) is 1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol.
What is the SMILES notation for 1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol?
The canonical SMILES for 1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol is CCc1cccnc1C(O)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol?
The InChIKey is GLEFSSNOIOFUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-13-4-3-8-18-15(13)16(19)14-5-9-21-17(12-14)6-10-20-11-7-17/h3-4,8,14,16,19H,2,5-7,9-12H2,1H3.
What are the key properties of 1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol?
1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol has a molecular weight of 291.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dioxaspiro[5.5]undecan-4-yl-(3-ethyl-2-pyridinyl)methanol is sourced from PubChem (CID 82732432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).