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

C12H16O2 — CID 101145323

IUPAC(8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one
SMILESC=C(C)[C@@H]1C=CC2(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?/m1/s1
InChIKeyQFENUDYGYSCUFM-RWANSRKNSA-N
MW192.26 g/mol
LogP2.60
Rot. Bonds1

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

(8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one (PubChem CID 101145323) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one.

Molecular Properties

Compound Name(8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one
PubChem CID101145323
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one
SMILESC=C(C)[C@@H]1C=CC2(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?/m1/s1
InChIKeyQFENUDYGYSCUFM-RWANSRKNSA-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

(1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 12618691
argon;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 159755681
(1R,4S)-1-ethyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 130265222
1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 14263532
6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene
CID 167650322
3-methyl-3-methylperoxy-6-prop-1-en-2-ylcyclohexene
CID 140938961
[(1S)-1-hydroxy-4-prop-1-en-2-ylcyclohex-2-en-1-yl]methyl acetate
CID 90382192
(4R)-7-hydroxy-7-methyl-4-prop-1-en-2-yloxepan-2-one
CID 53297421
3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene
CID 562417
(1S,4R)-spiro[bicyclo[2.2.1]hept-2-ene-7,5'-oxolane]-2'-one
CID 10773325
(5R)-5-(1-hydroxy-2-methylprop-2-enyl)-5-methyloxolan-2-one
CID 130709259
4-prop-1-en-2-ylcyclopent-2-en-1-one
CID 168900323

Frequently Asked Questions

What is the IUPAC name of (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one?
The IUPAC name of (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one (CID 101145323) is (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one.
What is the SMILES notation for (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one?
The canonical SMILES for (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one is C=C(C)[C@@H]1C=CC2(CCC(=O)O2)CC1.
What is the InChIKey of (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one?
The InChIKey is QFENUDYGYSCUFM-RWANSRKNSA-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?/m1/s1.
What are the key properties of (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one?
(8S)-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 (8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one is sourced from PubChem (CID 101145323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).