(2S,5S)-2,3,4,9-tetramethyl-1-oxa-9-azaspiro[4.6]undec-3-ene

C13H23NO — CID 176830232

IUPAC(2S,5S)-2,3,4,9-tetramethyl-1-oxa-9-azaspiro[4.6]undec-3-ene
SMILESCC1=C(C)[C@@]2(CCCN(C)CC2)O[C@H]1C
InChIInChI=1S/C13H23NO/c1-10-11(2)13(15-12(10)3)6-5-8-14(4)9-7-13/h12H,5-9H2,1-4H3/t12-,13-/m0/s1
InChIKeyWHOCWBIEFJVWOI-STQMWFEESA-N
MW209.33 g/mol
LogP2.60
Rot. Bonds

About (2S,5S)-2,3,4,9-tetramethyl-1-oxa-9-azaspiro[4.6]undec-3-ene

(2S,5S)-2,3,4,9-tetramethyl-1-oxa-9-azaspiro[4.6]undec-3-ene (PubChem CID 176830232) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2S,5S)-2,3,4,9-tetramethyl-1-oxa-9-azaspiro[4.6]undec-3-ene.

Molecular Properties

Compound Name(2S,5S)-2,3,4,9-tetramethyl-1-oxa-9-azaspiro[4.6]undec-3-ene
PubChem CID176830232
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2S,5S)-2,3,4,9-tetramethyl-1-oxa-9-azaspiro[4.6]undec-3-ene
SMILESCC1=C(C)[C@@]2(CCCN(C)CC2)O[C@H]1C
InChIInChI=1S/C13H23NO/c1-10-11(2)13(15-12(10)3)6-5-8-14(4)9-7-13/h12H,5-9H2,1-4H3/t12-,13-/m0/s1
InChIKeyWHOCWBIEFJVWOI-STQMWFEESA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 177161814
ethane;3-ethyl-2,4,8-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 177162575
6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one
CID 21055565
ethane;(2,3,9-trimethyl-9-azaspiro[4.6]undec-3-en-4-yl)phosphane
CID 177162678
N-[(E)-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]-N-methylmethanamine
CID 10013905
1,4,4,7,7-pentamethylazecane
CID 137411559
(2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129070238
3-methyl-3-azabicyclo[5.1.0]octan-7-ol
CID 122596287
9-methyl-2,9-diazaspiro[4.6]undecane-1,3-dione
CID 65071381
10,14-dimethyl-1,4,13-trioxa-10-azadispiro[4.1.57.25]tetradecane
CID 10242847
N-[(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]acetamide
CID 85100157
2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane
CID 173100464

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,3,4,9-tetramethyl-1-oxa-9-azaspiro[4.6]undec-3-ene?
The IUPAC name of (2S,5S)-2,3,4,9-tetramethyl-1-oxa-9-azaspiro[4.6]undec-3-ene (CID 176830232) is (2S,5S)-2,3,4,9-tetramethyl-1-oxa-9-azaspiro[4.6]undec-3-ene.
What is the SMILES notation for (2S,5S)-2,3,4,9-tetramethyl-1-oxa-9-azaspiro[4.6]undec-3-ene?
The canonical SMILES for (2S,5S)-2,3,4,9-tetramethyl-1-oxa-9-azaspiro[4.6]undec-3-ene is CC1=C(C)[C@@]2(CCCN(C)CC2)O[C@H]1C.
What is the InChIKey of (2S,5S)-2,3,4,9-tetramethyl-1-oxa-9-azaspiro[4.6]undec-3-ene?
The InChIKey is WHOCWBIEFJVWOI-STQMWFEESA-N. The full InChI is InChI=1S/C13H23NO/c1-10-11(2)13(15-12(10)3)6-5-8-14(4)9-7-13/h12H,5-9H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of (2S,5S)-2,3,4,9-tetramethyl-1-oxa-9-azaspiro[4.6]undec-3-ene?
(2S,5S)-2,3,4,9-tetramethyl-1-oxa-9-azaspiro[4.6]undec-3-ene has a molecular weight of 209.33 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,3,4,9-tetramethyl-1-oxa-9-azaspiro[4.6]undec-3-ene is sourced from PubChem (CID 176830232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).