(8S,10S)-8-methyl-10-[(E)-non-1-enyl]-1,5-dioxa-9-azaspiro[5.5]undecane

C18H33NO2 — CID 10968444

IUPAC(8S,10S)-8-methyl-10-[(E)-non-1-enyl]-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCCCCCC/C=C/[C@@H]1CC2(C[C@H](C)N1)OCCCO2
InChIInChI=1S/C18H33NO2/c1-3-4-5-6-7-8-9-11-17-15-18(14-16(2)19-17)20-12-10-13-21-18/h9,11,16-17,19H,3-8,10,12-15H2,1-2H3/b11-9+/t16-,17+/m0/s1
InChIKeyHBPZBFBUNKSPPD-DMFQBTPQSA-N
MW295.47 g/mol
LogP4.18
Rot. Bonds7

About (8S,10S)-8-methyl-10-[(E)-non-1-enyl]-1,5-dioxa-9-azaspiro[5.5]undecane

(8S,10S)-8-methyl-10-[(E)-non-1-enyl]-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 10968444) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is (8S,10S)-8-methyl-10-[(E)-non-1-enyl]-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(8S,10S)-8-methyl-10-[(E)-non-1-enyl]-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID10968444
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name(8S,10S)-8-methyl-10-[(E)-non-1-enyl]-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCCCCCC/C=C/[C@@H]1CC2(C[C@H](C)N1)OCCCO2
InChIInChI=1S/C18H33NO2/c1-3-4-5-6-7-8-9-11-17-15-18(14-16(2)19-17)20-12-10-13-21-18/h9,11,16-17,19H,3-8,10,12-15H2,1-2H3/b11-9+/t16-,17+/m0/s1
InChIKeyHBPZBFBUNKSPPD-DMFQBTPQSA-N
XLogP4.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-undec-1-enyl]-1,3-dioxolane
CID 170873891
2-heptadec-8-enyl-2-heptyl-1,3-dioxolane
CID 72578433
(2S,6S)-2-methyl-6-[(E)-tridec-4-enyl]piperidine
CID 87495600
(2R,6R)-2-methyl-6-[(Z)-pentadec-6-enyl]piperidine
CID 131877830
ethyl (8R,10R)-8-hexyl-1,5-dioxa-9-azaspiro[5.5]undecane-10-carboxylate
CID 101077072
non-1-enylcyclopentane
CID 86065492
2-(2-cyclopentylethyl)-2-heptyl-1,3-dioxane
CID 143254980
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
3-[(E)-oct-1-enyl]cyclohexene
CID 12576320
5-[(E)-non-1-enyl]cyclopenta-1,3-diene
CID 15399897
(3S,4S)-3-[(E)-dec-1-enyl]-4-heptylcyclopentene
CID 22811219
trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane
CID 54243743

Frequently Asked Questions

What is the IUPAC name of (8S,10S)-8-methyl-10-[(E)-non-1-enyl]-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of (8S,10S)-8-methyl-10-[(E)-non-1-enyl]-1,5-dioxa-9-azaspiro[5.5]undecane (CID 10968444) is (8S,10S)-8-methyl-10-[(E)-non-1-enyl]-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for (8S,10S)-8-methyl-10-[(E)-non-1-enyl]-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for (8S,10S)-8-methyl-10-[(E)-non-1-enyl]-1,5-dioxa-9-azaspiro[5.5]undecane is CCCCCCC/C=C/[C@@H]1CC2(C[C@H](C)N1)OCCCO2.
What is the InChIKey of (8S,10S)-8-methyl-10-[(E)-non-1-enyl]-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is HBPZBFBUNKSPPD-DMFQBTPQSA-N. The full InChI is InChI=1S/C18H33NO2/c1-3-4-5-6-7-8-9-11-17-15-18(14-16(2)19-17)20-12-10-13-21-18/h9,11,16-17,19H,3-8,10,12-15H2,1-2H3/b11-9+/t16-,17+/m0/s1.
What are the key properties of (8S,10S)-8-methyl-10-[(E)-non-1-enyl]-1,5-dioxa-9-azaspiro[5.5]undecane?
(8S,10S)-8-methyl-10-[(E)-non-1-enyl]-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 295.47 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,10S)-8-methyl-10-[(E)-non-1-enyl]-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 10968444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).