(2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene

C12H21NO — CID 177161814

IUPAC(2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESCC1=C(C)C2(CCN(C)CC2)O[C@@H]1C
InChIInChI=1S/C12H21NO/c1-9-10(2)12(14-11(9)3)5-7-13(4)8-6-12/h11H,5-8H2,1-4H3/t11-/m1/s1
InChIKeyTXIYVRCGUIFOQX-LLVKDONJSA-N
MW195.31 g/mol
LogP2.21
Rot. Bonds

About (2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene

(2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene (PubChem CID 177161814) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name(2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
PubChem CID177161814
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESCC1=C(C)C2(CCN(C)CC2)O[C@@H]1C
InChIInChI=1S/C12H21NO/c1-9-10(2)12(14-11(9)3)5-7-13(4)8-6-12/h11H,5-8H2,1-4H3/t11-/m1/s1
InChIKeyTXIYVRCGUIFOQX-LLVKDONJSA-N
XLogP2.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.21
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

(2S,5S)-2,3,4,9-tetramethyl-1-oxa-9-azaspiro[4.6]undec-3-ene
CID 176830232
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
N-[(E)-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)amino]-N-methylmethanamine
CID 10013905
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
3-ethyl-2,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene
CID 177162327
2,8-dimethyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decane
CID 173100464
but-2-enedioic acid;N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine;methoxymethane
CID 173327994
(Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium
CID 142826209
ethane;(2,3,9-trimethyl-9-azaspiro[4.6]undec-3-en-4-yl)phosphane
CID 177162678
(NE)-N-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine
CID 10081083

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of (2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene (CID 177161814) is (2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for (2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for (2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene is CC1=C(C)C2(CCN(C)CC2)O[C@@H]1C.
What is the InChIKey of (2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The InChIKey is TXIYVRCGUIFOQX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-10(2)12(14-11(9)3)5-7-13(4)8-6-12/h11H,5-8H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
(2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene has a molecular weight of 195.31 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 177161814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).