(4R)-4-ethenyl-2-oxaspiro[4.5]deca-6,9-dien-8-one

C11H12O2 — CID 102052608

IUPAC(4R)-4-ethenyl-2-oxaspiro[4.5]deca-6,9-dien-8-one
SMILESC=C[C@H]1COCC12C=CC(=O)C=C2
InChIInChI=1S/C11H12O2/c1-2-9-7-13-8-11(9)5-3-10(12)4-6-11/h2-6,9H,1,7-8H2/t9-/m0/s1
InChIKeyAUSHCUJTZINNPP-VIFPVBQESA-N
MW176.21 g/mol
LogP1.50
Rot. Bonds1

About (4R)-4-ethenyl-2-oxaspiro[4.5]deca-6,9-dien-8-one

(4R)-4-ethenyl-2-oxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 102052608) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (4R)-4-ethenyl-2-oxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name(4R)-4-ethenyl-2-oxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID102052608
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name(4R)-4-ethenyl-2-oxaspiro[4.5]deca-6,9-dien-8-one
SMILESC=C[C@H]1COCC12C=CC(=O)C=C2
InChIInChI=1S/C11H12O2/c1-2-9-7-13-8-11(9)5-3-10(12)4-6-11/h2-6,9H,1,7-8H2/t9-/m0/s1
InChIKeyAUSHCUJTZINNPP-VIFPVBQESA-N
XLogP1.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.50
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

(4R)-4-ethenyl-2,2-dimethoxyspiro[4.5]deca-6,9-dien-8-one
CID 102052605
(3R,4S)-3-ethenyl-5-oxaspiro[3.4]oct-7-en-6-one
CID 102096453
5-ethenyl-4,4-dimethoxycyclohex-2-en-1-one
CID 14400674
1,2-dioxaspiro[2.5]octa-4,7-dien-6-one
CID 71337471
5-methyl-3-[2-(prop-2-enylamino)ethyl]-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
CID 155297328
3-ethenyl-4,4-dimethylcyclohexa-2,5-dien-1-one
CID 101379478
trans-(3R,5R)-3,5-bis(ethenyl)-4,4-dimethylcyclohexan-1-one
CID 11513853
(4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane
CID 11240580
6-ethenyl-4,4-dimethylcyclohex-2-en-1-one
CID 18320097
3,3-bis(benzenesulfonyl)-4-ethenyloxane
CID 10982074
(2'R,3aS,5'S,7aR)-2',5'-bis(ethenyl)spiro[3a,4,7,7a-tetrahydro-2-benzofuran-3,1'-cyclopentane]-1-one
CID 15197268
1-hydroxy-1-azaspiro[3.5]nona-5,8-diene-2,7-dione
CID 58997577

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethenyl-2-oxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of (4R)-4-ethenyl-2-oxaspiro[4.5]deca-6,9-dien-8-one (CID 102052608) is (4R)-4-ethenyl-2-oxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for (4R)-4-ethenyl-2-oxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for (4R)-4-ethenyl-2-oxaspiro[4.5]deca-6,9-dien-8-one is C=C[C@H]1COCC12C=CC(=O)C=C2.
What is the InChIKey of (4R)-4-ethenyl-2-oxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is AUSHCUJTZINNPP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12O2/c1-2-9-7-13-8-11(9)5-3-10(12)4-6-11/h2-6,9H,1,7-8H2/t9-/m0/s1.
What are the key properties of (4R)-4-ethenyl-2-oxaspiro[4.5]deca-6,9-dien-8-one?
(4R)-4-ethenyl-2-oxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 176.21 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethenyl-2-oxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 102052608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).