(5S,8R)-8-methoxy-1-oxaspiro[4.5]dec-6-ene

C10H16O2 — CID 11126670

IUPAC(5S,8R)-8-methoxy-1-oxaspiro[4.5]dec-6-ene
SMILESCO[C@H]1C=C[C@]2(CCCO2)CC1
InChIInChI=1S/C10H16O2/c1-11-9-3-6-10(7-4-9)5-2-8-12-10/h3,6,9H,2,4-5,7-8H2,1H3/t9-,10+/m0/s1
InChIKeyXOJJSDCHYLNHJN-VHSXEESVSA-N
MW168.24 g/mol
LogP1.90
Rot. Bonds1

About (5S,8R)-8-methoxy-1-oxaspiro[4.5]dec-6-ene

(5S,8R)-8-methoxy-1-oxaspiro[4.5]dec-6-ene (PubChem CID 11126670) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (5S,8R)-8-methoxy-1-oxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name(5S,8R)-8-methoxy-1-oxaspiro[4.5]dec-6-ene
PubChem CID11126670
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(5S,8R)-8-methoxy-1-oxaspiro[4.5]dec-6-ene
SMILESCO[C@H]1C=C[C@]2(CCCO2)CC1
InChIInChI=1S/C10H16O2/c1-11-9-3-6-10(7-4-9)5-2-8-12-10/h3,6,9H,2,4-5,7-8H2,1H3/t9-,10+/m0/s1
InChIKeyXOJJSDCHYLNHJN-VHSXEESVSA-N
XLogP1.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.90
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

Theaspirane
CID 61953
Bisabolene oxide
CID 56842615
(2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane
CID 162888684
1-Oxaspiro[4.5]dec-6-ene, 2,6,10,10-tetramethyl-, (2R,5R)-rel-
CID 11298500
1-Oxaspiro(4.5)dec-6-ene, 2,6,10,10-tetramethyl-, (2R,5S)-rel-
CID 11435500
1-Oxaspiro(4.5)dec-6-ene, 2,6,10,10-tetramethyl-, (2S,5S)-
CID 6431226
(3R,4S)-4-[2-(3-methylbutoxy)ethyl]-3-nonoxycyclopentene
CID 24744921
Trichobisabolin G
CID 146683371
(2S,5S)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane
CID 162888683
(2S,4S,5R)-4,8-dimethyl-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene
CID 162941234
3-[1-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]ethyl]-6,6-dimethyl-3H-1,2-dioxine
CID 163042006
1-Oxaspiro(4.5)dec-6-ene, 2,6,10,10-tetramethyl-, (2R,5S)-
CID 21155955

Frequently Asked Questions

What is the IUPAC name of (5S,8R)-8-methoxy-1-oxaspiro[4.5]dec-6-ene?
The IUPAC name of (5S,8R)-8-methoxy-1-oxaspiro[4.5]dec-6-ene (CID 11126670) is (5S,8R)-8-methoxy-1-oxaspiro[4.5]dec-6-ene.
What is the SMILES notation for (5S,8R)-8-methoxy-1-oxaspiro[4.5]dec-6-ene?
The canonical SMILES for (5S,8R)-8-methoxy-1-oxaspiro[4.5]dec-6-ene is CO[C@H]1C=C[C@]2(CCCO2)CC1.
What is the InChIKey of (5S,8R)-8-methoxy-1-oxaspiro[4.5]dec-6-ene?
The InChIKey is XOJJSDCHYLNHJN-VHSXEESVSA-N. The full InChI is InChI=1S/C10H16O2/c1-11-9-3-6-10(7-4-9)5-2-8-12-10/h3,6,9H,2,4-5,7-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of (5S,8R)-8-methoxy-1-oxaspiro[4.5]dec-6-ene?
(5S,8R)-8-methoxy-1-oxaspiro[4.5]dec-6-ene has a molecular weight of 168.24 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R)-8-methoxy-1-oxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 11126670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).