(2R,5S)-2-ethenyl-2,6,6-trimethyl-1-oxaspiro[4.5]decan-10-one

C14H22O2 — CID 10632833

IUPAC(2R,5S)-2-ethenyl-2,6,6-trimethyl-1-oxaspiro[4.5]decan-10-one
SMILESC=C[C@@]1(C)CC[C@@]2(O1)C(=O)CCCC2(C)C
InChIInChI=1S/C14H22O2/c1-5-13(4)9-10-14(16-13)11(15)7-6-8-12(14,2)3/h5H,1,6-10H2,2-4H3/t13-,14+/m0/s1
InChIKeyLTEUTVOPFIDTTE-UONOGXRCSA-N
MW222.33 g/mol
LogP3.26
Rot. Bonds1

About (2R,5S)-2-ethenyl-2,6,6-trimethyl-1-oxaspiro[4.5]decan-10-one

(2R,5S)-2-ethenyl-2,6,6-trimethyl-1-oxaspiro[4.5]decan-10-one (PubChem CID 10632833) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (2R,5S)-2-ethenyl-2,6,6-trimethyl-1-oxaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name(2R,5S)-2-ethenyl-2,6,6-trimethyl-1-oxaspiro[4.5]decan-10-one
PubChem CID10632833
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(2R,5S)-2-ethenyl-2,6,6-trimethyl-1-oxaspiro[4.5]decan-10-one
SMILESC=C[C@@]1(C)CC[C@@]2(O1)C(=O)CCCC2(C)C
InChIInChI=1S/C14H22O2/c1-5-13(4)9-10-14(16-13)11(15)7-6-8-12(14,2)3/h5H,1,6-10H2,2-4H3/t13-,14+/m0/s1
InChIKeyLTEUTVOPFIDTTE-UONOGXRCSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.26
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,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one
CID 10262981
(2R,5R,7R,8S)-2-ethenyl-2,7,8-trimethyl-1-oxaspiro[4.5]decan-6-one
CID 10421109
(2R,5S,7R,8S)-2-ethenyl-2,7,8-trimethyl-1-oxaspiro[4.5]decan-6-one
CID 10443549
(1R,4aR,5'R,8aR)-5'-ethenyl-5,5,5',8a-tetramethylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,2'-oxolane]-2-one
CID 10870015
(2R,5S,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one
CID 11775737
(2R,5R,5aR)-9a-ethenyl-2,5,6,6-tetramethyl-4,5,5a,7,8,9-hexahydrobenzo[b]oxepin-3-one
CID 142081323
(2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one
CID 10487610
(2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one
CID 10511581
(2R,5R)-2-ethenyl-2,6,6-trimethyl-1-oxaspiro[4.5]decan-10-one
CID 10513241
(2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one
CID 10607857
(2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one
CID 10655437
(1S,4aR,5'R,8aR)-5'-ethenyl-5,5,5',8a-tetramethylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,2'-oxolane]-2-one
CID 10968253

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-ethenyl-2,6,6-trimethyl-1-oxaspiro[4.5]decan-10-one?
The IUPAC name of (2R,5S)-2-ethenyl-2,6,6-trimethyl-1-oxaspiro[4.5]decan-10-one (CID 10632833) is (2R,5S)-2-ethenyl-2,6,6-trimethyl-1-oxaspiro[4.5]decan-10-one.
What is the SMILES notation for (2R,5S)-2-ethenyl-2,6,6-trimethyl-1-oxaspiro[4.5]decan-10-one?
The canonical SMILES for (2R,5S)-2-ethenyl-2,6,6-trimethyl-1-oxaspiro[4.5]decan-10-one is C=C[C@@]1(C)CC[C@@]2(O1)C(=O)CCCC2(C)C.
What is the InChIKey of (2R,5S)-2-ethenyl-2,6,6-trimethyl-1-oxaspiro[4.5]decan-10-one?
The InChIKey is LTEUTVOPFIDTTE-UONOGXRCSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-13(4)9-10-14(16-13)11(15)7-6-8-12(14,2)3/h5H,1,6-10H2,2-4H3/t13-,14+/m0/s1.
What are the key properties of (2R,5S)-2-ethenyl-2,6,6-trimethyl-1-oxaspiro[4.5]decan-10-one?
(2R,5S)-2-ethenyl-2,6,6-trimethyl-1-oxaspiro[4.5]decan-10-one has a molecular weight of 222.33 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-ethenyl-2,6,6-trimethyl-1-oxaspiro[4.5]decan-10-one is sourced from PubChem (CID 10632833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).