(5R,8R)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one

C12H16O2 — CID 10535757

IUPAC(5R,8R)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one
SMILESC=C(C)[C@H]1C=C[C@]2(CCC(=O)O2)CC1
InChIInChI=1S/C12H16O2/c1-9(2)10-3-6-12(7-4-10)8-5-11(13)14-12/h3,6,10H,1,4-5,7-8H2,2H3/t10-,12+/m0/s1
InChIKeyQFENUDYGYSCUFM-CMPLNLGQSA-N
MW192.26 g/mol
LogP2.60
Rot. Bonds1

About (5R,8R)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one

(5R,8R)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one (PubChem CID 10535757) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (5R,8R)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one.

Molecular Properties

Compound Name(5R,8R)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one
PubChem CID10535757
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(5R,8R)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one
SMILESC=C(C)[C@H]1C=C[C@]2(CCC(=O)O2)CC1
InChIInChI=1S/C12H16O2/c1-9(2)10-3-6-12(7-4-10)8-5-11(13)14-12/h3,6,10H,1,4-5,7-8H2,2H3/t10-,12+/m0/s1
InChIKeyQFENUDYGYSCUFM-CMPLNLGQSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
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

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CID 6427076
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CID 11332852
Wine lactone
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Sedanolide
CID 5018391
(3S,3aS,6E,10E,11aS)-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
CID 6475829
2(3H)-Furanone, 5-(3-hexenyl)dihydro-5-methyl-, (E)-
CID 6436439
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-penten-1-yl)-
CID 122486
Neocnidilide
CID 3083857
Orin lactone
CID 9942315
Dihydrocostunolide
CID 5367639
Wine lactone, (3S, 3aR, 7aR)
CID 10511262
CID 6917068
CID 6917068

Frequently Asked Questions

What is the IUPAC name of (5R,8R)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one?
The IUPAC name of (5R,8R)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one (CID 10535757) is (5R,8R)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one.
What is the SMILES notation for (5R,8R)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one?
The canonical SMILES for (5R,8R)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one is C=C(C)[C@H]1C=C[C@]2(CCC(=O)O2)CC1.
What is the InChIKey of (5R,8R)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one?
The InChIKey is QFENUDYGYSCUFM-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(2)10-3-6-12(7-4-10)8-5-11(13)14-12/h3,6,10H,1,4-5,7-8H2,2H3/t10-,12+/m0/s1.
What are the key properties of (5R,8R)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one?
(5R,8R)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one is sourced from PubChem (CID 10535757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).