(5R,8R)-8-prop-2-enyl-1-oxaspiro[4.5]decan-6-one

C12H18O2 — CID 10262043

IUPAC(5R,8R)-8-prop-2-enyl-1-oxaspiro[4.5]decan-6-one
SMILESC=CC[C@H]1CC[C@@]2(CCCO2)C(=O)C1
InChIInChI=1S/C12H18O2/c1-2-4-10-5-7-12(11(13)9-10)6-3-8-14-12/h2,10H,1,3-9H2/t10-,12-/m0/s1
InChIKeyCCZQGYBARAWQBD-JQWIXIFHSA-N
MW194.27 g/mol
LogP2.48
Rot. Bonds2

About (5R,8R)-8-prop-2-enyl-1-oxaspiro[4.5]decan-6-one

(5R,8R)-8-prop-2-enyl-1-oxaspiro[4.5]decan-6-one (PubChem CID 10262043) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (5R,8R)-8-prop-2-enyl-1-oxaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R,8R)-8-prop-2-enyl-1-oxaspiro[4.5]decan-6-one
PubChem CID10262043
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(5R,8R)-8-prop-2-enyl-1-oxaspiro[4.5]decan-6-one
SMILESC=CC[C@H]1CC[C@@]2(CCCO2)C(=O)C1
InChIInChI=1S/C12H18O2/c1-2-4-10-5-7-12(11(13)9-10)6-3-8-14-12/h2,10H,1,3-9H2/t10-,12-/m0/s1
InChIKeyCCZQGYBARAWQBD-JQWIXIFHSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.48
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

1-(2-Methyloxolan-2-yl)pent-4-en-1-one
CID 12736619
1-(2-Methyloxolan-2-yl)hex-5-en-1-one
CID 80166483
(5R,7R,8S)-8-Allyl-7-bromo-1-oxaspiro[4.5]decan-6-one
CID 10061819
(5R,7S,8S)-7-bromo-8-prop-2-enyl-1-oxaspiro[4.5]decan-6-one
CID 10333475
(5R,8S)-8-prop-2-enyl-1-oxaspiro[4.5]decan-6-one
CID 10352619
(5R,7R,8R)-8-Allyl-7-bromo-1-oxaspiro[4.5]decan-6-one
CID 11778041
(5R,7S,8R)-8-Allyl-7-bromo-1-oxaspiro[4.5]decan-6-one
CID 11778042
2-But-3-enoxy-1-cyclohexylethanone
CID 104751967
1-Cyclohexyl-2-pent-4-enoxyethanone
CID 104752146
1-(2-Methyloxolan-2-yl)oct-7-en-1-one
CID 107008328
1-(Oxolan-3-yl)non-8-en-2-one
CID 107008377
3-Ethoxy-3-methylundec-10-en-4-one
CID 107008402

Frequently Asked Questions

What is the IUPAC name of (5R,8R)-8-prop-2-enyl-1-oxaspiro[4.5]decan-6-one?
The IUPAC name of (5R,8R)-8-prop-2-enyl-1-oxaspiro[4.5]decan-6-one (CID 10262043) is (5R,8R)-8-prop-2-enyl-1-oxaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R,8R)-8-prop-2-enyl-1-oxaspiro[4.5]decan-6-one?
The canonical SMILES for (5R,8R)-8-prop-2-enyl-1-oxaspiro[4.5]decan-6-one is C=CC[C@H]1CC[C@@]2(CCCO2)C(=O)C1.
What is the InChIKey of (5R,8R)-8-prop-2-enyl-1-oxaspiro[4.5]decan-6-one?
The InChIKey is CCZQGYBARAWQBD-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-4-10-5-7-12(11(13)9-10)6-3-8-14-12/h2,10H,1,3-9H2/t10-,12-/m0/s1.
What are the key properties of (5R,8R)-8-prop-2-enyl-1-oxaspiro[4.5]decan-6-one?
(5R,8R)-8-prop-2-enyl-1-oxaspiro[4.5]decan-6-one has a molecular weight of 194.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R)-8-prop-2-enyl-1-oxaspiro[4.5]decan-6-one is sourced from PubChem (CID 10262043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).