(2R,5R,7R,8S)-2-ethenyl-2,7,8-trimethyl-1-oxaspiro[4.5]decan-6-one

C14H22O2 — CID 10421109

IUPAC(2R,5R,7R,8S)-2-ethenyl-2,7,8-trimethyl-1-oxaspiro[4.5]decan-6-one
SMILESC=C[C@@]1(C)CC[C@@]2(CC[C@H](C)[C@@H](C)C2=O)O1
InChIInChI=1S/C14H22O2/c1-5-13(4)8-9-14(16-13)7-6-10(2)11(3)12(14)15/h5,10-11H,1,6-9H2,2-4H3/t10-,11+,13-,14+/m0/s1
InChIKeyKLXDWAIIMVWSHW-UZGDPCLZSA-N
MW222.33 g/mol
LogP3.12
Rot. Bonds1

About (2R,5R,7R,8S)-2-ethenyl-2,7,8-trimethyl-1-oxaspiro[4.5]decan-6-one

(2R,5R,7R,8S)-2-ethenyl-2,7,8-trimethyl-1-oxaspiro[4.5]decan-6-one (PubChem CID 10421109) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (2R,5R,7R,8S)-2-ethenyl-2,7,8-trimethyl-1-oxaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(2R,5R,7R,8S)-2-ethenyl-2,7,8-trimethyl-1-oxaspiro[4.5]decan-6-one
PubChem CID10421109
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(2R,5R,7R,8S)-2-ethenyl-2,7,8-trimethyl-1-oxaspiro[4.5]decan-6-one
SMILESC=C[C@@]1(C)CC[C@@]2(CC[C@H](C)[C@@H](C)C2=O)O1
InChIInChI=1S/C14H22O2/c1-5-13(4)8-9-14(16-13)7-6-10(2)11(3)12(14)15/h5,10-11H,1,6-9H2,2-4H3/t10-,11+,13-,14+/m0/s1
InChIKeyKLXDWAIIMVWSHW-UZGDPCLZSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5R,7R,8S)-2-ethenyl-2,7,8-trimethyl-1-oxaspiro[4.5]decan-6-one?
The IUPAC name of (2R,5R,7R,8S)-2-ethenyl-2,7,8-trimethyl-1-oxaspiro[4.5]decan-6-one (CID 10421109) is (2R,5R,7R,8S)-2-ethenyl-2,7,8-trimethyl-1-oxaspiro[4.5]decan-6-one.
What is the SMILES notation for (2R,5R,7R,8S)-2-ethenyl-2,7,8-trimethyl-1-oxaspiro[4.5]decan-6-one?
The canonical SMILES for (2R,5R,7R,8S)-2-ethenyl-2,7,8-trimethyl-1-oxaspiro[4.5]decan-6-one is C=C[C@@]1(C)CC[C@@]2(CC[C@H](C)[C@@H](C)C2=O)O1.
What is the InChIKey of (2R,5R,7R,8S)-2-ethenyl-2,7,8-trimethyl-1-oxaspiro[4.5]decan-6-one?
The InChIKey is KLXDWAIIMVWSHW-UZGDPCLZSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-13(4)8-9-14(16-13)7-6-10(2)11(3)12(14)15/h5,10-11H,1,6-9H2,2-4H3/t10-,11+,13-,14+/m0/s1.
What are the key properties of (2R,5R,7R,8S)-2-ethenyl-2,7,8-trimethyl-1-oxaspiro[4.5]decan-6-one?
(2R,5R,7R,8S)-2-ethenyl-2,7,8-trimethyl-1-oxaspiro[4.5]decan-6-one has a molecular weight of 222.33 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,7R,8S)-2-ethenyl-2,7,8-trimethyl-1-oxaspiro[4.5]decan-6-one is sourced from PubChem (CID 10421109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).