[(1S,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-en-8-yl]methyl acetate

C17H26O2 — CID 10539435

IUPAC[(1S,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-en-8-yl]methyl acetate
SMILESC=C1CC[C@@H](C(C)C)[C@@]12CC=C(COC(C)=O)CC2
InChIInChI=1S/C17H26O2/c1-12(2)16-6-5-13(3)17(16)9-7-15(8-10-17)11-19-14(4)18/h7,12,16H,3,5-6,8-11H2,1-2,4H3/t16-,17+/m0/s1
InChIKeyWHUDOKKLSAYGNB-DLBZAZTESA-N
MW262.39 g/mol
LogP4.27
Rot. Bonds3

About [(1S,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-en-8-yl]methyl acetate

[(1S,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-en-8-yl]methyl acetate (PubChem CID 10539435) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is [(1S,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-en-8-yl]methyl acetate.

Molecular Properties

Compound Name[(1S,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-en-8-yl]methyl acetate
PubChem CID10539435
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name[(1S,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-en-8-yl]methyl acetate
SMILESC=C1CC[C@@H](C(C)C)[C@@]12CC=C(COC(C)=O)CC2
InChIInChI=1S/C17H26O2/c1-12(2)16-6-5-13(3)17(16)9-7-15(8-10-17)11-19-14(4)18/h7,12,16H,3,5-6,8-11H2,1-2,4H3/t16-,17+/m0/s1
InChIKeyWHUDOKKLSAYGNB-DLBZAZTESA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1S,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-en-8-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3S,3aS,8aR)-2,3-dihydroxy-8a-methyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-6-yl]methyl acetate
CID 170989789
[(1R,4E,7S,11R,14R)-11-hydroxy-14-methyl-10-methylidene-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadec-4-en-4-yl]methyl acetate
CID 71466878
(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 2-methylpropanoate
CID 101320060
[(1S,3Z,7S,11S,12S)-7,12-dihydroxy-12,15,15-trimethyl-8-methylidene-4-bicyclo[9.3.1]pentadec-3-enyl]methyl acetate
CID 163010084
[(1S,3aR,5E,9E,12aS)-3a,6-dimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-10-yl]methyl acetate
CID 70675881
methyl (3aS,6E,10Z,11aR)-10-(acetyloxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate
CID 163075854
[(3aR,5R,6Z,9Z,11aS)-10-(acetyloxymethyl)-5-hydroxy-3-methylidene-2-oxo-3a,4,5,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl 3-methylbutanoate
CID 23229636
[(3aR,5Z,9E,13E,15R,15aR)-15-hydroxy-10,14-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca[b]furan-6-yl]methyl acetate
CID 162917258
[(6Z,10Z)-10-(acetyloxymethyl)-4-hydroxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-yl]methyl 2-methylpropanoate
CID 22524725
(5-methylidene-6-oxocyclohexen-1-yl)methyl acetate
CID 101419250
[(7R)-7-methyl-4-methylidene-1-oxaspiro[2.5]octan-2-yl]methyl acetate
CID 54377646
[(4S)-4-[(2R)-6-methylhept-5-en-2-yl]-3-oxocyclohexen-1-yl]methyl acetate
CID 162983853

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-en-8-yl]methyl acetate?
The IUPAC name of [(1S,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-en-8-yl]methyl acetate (CID 10539435) is [(1S,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-en-8-yl]methyl acetate.
What is the SMILES notation for [(1S,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-en-8-yl]methyl acetate?
The canonical SMILES for [(1S,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-en-8-yl]methyl acetate is C=C1CC[C@@H](C(C)C)[C@@]12CC=C(COC(C)=O)CC2.
What is the InChIKey of [(1S,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-en-8-yl]methyl acetate?
The InChIKey is WHUDOKKLSAYGNB-DLBZAZTESA-N. The full InChI is InChI=1S/C17H26O2/c1-12(2)16-6-5-13(3)17(16)9-7-15(8-10-17)11-19-14(4)18/h7,12,16H,3,5-6,8-11H2,1-2,4H3/t16-,17+/m0/s1.
What are the key properties of [(1S,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-en-8-yl]methyl acetate?
[(1S,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-en-8-yl]methyl acetate has a molecular weight of 262.39 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-en-8-yl]methyl acetate is sourced from PubChem (CID 10539435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).