[(7R,10R)-10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl] acetate

C15H22O3 — CID 86647587

IUPAC[(7R,10R)-10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl] acetate
SMILESCC(=O)O[C@H]1C=C(C)[C@H](C(C)=O)C2(CCCC2)C1
InChIInChI=1S/C15H22O3/c1-10-8-13(18-12(3)17)9-15(6-4-5-7-15)14(10)11(2)16/h8,13-14H,4-7,9H2,1-3H3/t13-,14+/m0/s1
InChIKeyNKDRUBFNJPNRTQ-UONOGXRCSA-N
MW250.34 g/mol
LogP3.03
Rot. Bonds2

About [(7R,10R)-10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl] acetate

[(7R,10R)-10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl] acetate (PubChem CID 86647587) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is [(7R,10R)-10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl] acetate.

Molecular Properties

Compound Name[(7R,10R)-10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl] acetate
PubChem CID86647587
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name[(7R,10R)-10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl] acetate
SMILESCC(=O)O[C@H]1C=C(C)[C@H](C(C)=O)C2(CCCC2)C1
InChIInChI=1S/C15H22O3/c1-10-8-13(18-12(3)17)9-15(6-4-5-7-15)14(10)11(2)16/h8,13-14H,4-7,9H2,1-3H3/t13-,14+/m0/s1
InChIKeyNKDRUBFNJPNRTQ-UONOGXRCSA-N
XLogP3.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4aS,8aR,9aR)-3,5,8a-trimethyl-4a,8,9,9a-tetrahydro-4H-benzo[f][1]benzofuran-2,7-dione
CID 71681246
Clavirolide B
CID 23426977
Clavirolide C
CID 23426978
Clavirolide D
CID 23426979
Clavulactone
CID 44567097
Cespitularin K
CID 16083137
Cespihypotin R
CID 25178793
[(3aR,5S,10S,12aS)-3a,10-dimethyl-6-methylidene-2,9-dioxo-1-propan-2-ylidene-4,5,7,8,10,11,12,12a-octahydro-3H-cyclopenta[11]annulen-5-yl] acetate
CID 46833124
[(3aR,5S,9E,12aS)-3a,10-dimethyl-6-methylidene-2-oxo-1-propan-2-ylidene-3,4,5,7,8,11,12,12a-octahydrocyclopenta[11]annulen-5-yl] acetate
CID 46833125
(5S)-5-[(5S)-3,3-dimethyl-5-(2-oxopropyl)cyclopenten-1-yl]-5-methyloxolan-2-one
CID 73347657
Capillosanane Q
CID 73349164
3-[(4R)-4-methyl-3-oxo-6-(2,6,6-trimethylcyclohexen-1-yl)hexyl]-2H-furan-5-one
CID 73354982

Frequently Asked Questions

What is the IUPAC name of [(7R,10R)-10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl] acetate?
The IUPAC name of [(7R,10R)-10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl] acetate (CID 86647587) is [(7R,10R)-10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl] acetate.
What is the SMILES notation for [(7R,10R)-10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl] acetate?
The canonical SMILES for [(7R,10R)-10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl] acetate is CC(=O)O[C@H]1C=C(C)[C@H](C(C)=O)C2(CCCC2)C1.
What is the InChIKey of [(7R,10R)-10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl] acetate?
The InChIKey is NKDRUBFNJPNRTQ-UONOGXRCSA-N. The full InChI is InChI=1S/C15H22O3/c1-10-8-13(18-12(3)17)9-15(6-4-5-7-15)14(10)11(2)16/h8,13-14H,4-7,9H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of [(7R,10R)-10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl] acetate?
[(7R,10R)-10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl] acetate has a molecular weight of 250.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R,10R)-10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl] acetate is sourced from PubChem (CID 86647587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).