3-(2,6-dioxaspiro[4.5]decan-9-yl)oxane-3-carbonitrile

C14H21NO3 — CID 114277383

IUPAC3-(2,6-dioxaspiro[4.5]decan-9-yl)oxane-3-carbonitrile
SMILESN#CC1(C2CCOC3(CCOC3)C2)CCCOC1
InChIInChI=1S/C14H21NO3/c15-9-13(3-1-5-16-10-13)12-2-6-18-14(8-12)4-7-17-11-14/h12H,1-8,10-11H2
InChIKeyCQSCLTRQHCSDLZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.89
Rot. Bonds1

About 3-(2,6-dioxaspiro[4.5]decan-9-yl)oxane-3-carbonitrile

3-(2,6-dioxaspiro[4.5]decan-9-yl)oxane-3-carbonitrile (PubChem CID 114277383) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(2,6-dioxaspiro[4.5]decan-9-yl)oxane-3-carbonitrile.

Molecular Properties

Compound Name3-(2,6-dioxaspiro[4.5]decan-9-yl)oxane-3-carbonitrile
PubChem CID114277383
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-(2,6-dioxaspiro[4.5]decan-9-yl)oxane-3-carbonitrile
SMILESN#CC1(C2CCOC3(CCOC3)C2)CCCOC1
InChIInChI=1S/C14H21NO3/c15-9-13(3-1-5-16-10-13)12-2-6-18-14(8-12)4-7-17-11-14/h12H,1-8,10-11H2
InChIKeyCQSCLTRQHCSDLZ-UHFFFAOYSA-N
XLogP1.89
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912746
3-(6-oxaspiro[4.5]decan-9-yl)oxan-3-ol
CID 79913860
3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 80561361
3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-3-ol
CID 79902057
9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol
CID 95335760
9-(3-bromo-1-methylcyclopentyl)-2,6-dioxaspiro[4.5]decane
CID 116540544
N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903430
3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoropyrrolidine
CID 112564317
1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79912406
1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile
CID 79903946
1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile
CID 79903651

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-yl)oxane-3-carbonitrile?
The IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-yl)oxane-3-carbonitrile (CID 114277383) is 3-(2,6-dioxaspiro[4.5]decan-9-yl)oxane-3-carbonitrile.
What is the SMILES notation for 3-(2,6-dioxaspiro[4.5]decan-9-yl)oxane-3-carbonitrile?
The canonical SMILES for 3-(2,6-dioxaspiro[4.5]decan-9-yl)oxane-3-carbonitrile is N#CC1(C2CCOC3(CCOC3)C2)CCCOC1.
What is the InChIKey of 3-(2,6-dioxaspiro[4.5]decan-9-yl)oxane-3-carbonitrile?
The InChIKey is CQSCLTRQHCSDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c15-9-13(3-1-5-16-10-13)12-2-6-18-14(8-12)4-7-17-11-14/h12H,1-8,10-11H2.
What are the key properties of 3-(2,6-dioxaspiro[4.5]decan-9-yl)oxane-3-carbonitrile?
3-(2,6-dioxaspiro[4.5]decan-9-yl)oxane-3-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dioxaspiro[4.5]decan-9-yl)oxane-3-carbonitrile is sourced from PubChem (CID 114277383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).