methyl 2-[(9E)-10-methyl-5-oxadispiro[2.0.24.73]tridec-9-en-13-yl]acetate

C16H24O3 — CID 10801581

IUPACmethyl 2-[(9E)-10-methyl-5-oxadispiro[2.0.24.73]tridec-9-en-13-yl]acetate
SMILESCOC(=O)CC1CC/C(C)=C/CCC2(CO2)C12CC2
InChIInChI=1S/C16H24O3/c1-12-4-3-7-16(11-19-16)15(8-9-15)13(6-5-12)10-14(17)18-2/h4,13H,3,5-11H2,1-2H3/b12-4+
InChIKeyDQWAAVMFFJMRNC-UUILKARUSA-N
MW264.36 g/mol
LogP3.24
Rot. Bonds2

About methyl 2-[(9E)-10-methyl-5-oxadispiro[2.0.24.73]tridec-9-en-13-yl]acetate

methyl 2-[(9E)-10-methyl-5-oxadispiro[2.0.24.73]tridec-9-en-13-yl]acetate (PubChem CID 10801581) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is methyl 2-[(9E)-10-methyl-5-oxadispiro[2.0.24.73]tridec-9-en-13-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(9E)-10-methyl-5-oxadispiro[2.0.24.73]tridec-9-en-13-yl]acetate
PubChem CID10801581
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Namemethyl 2-[(9E)-10-methyl-5-oxadispiro[2.0.24.73]tridec-9-en-13-yl]acetate
SMILESCOC(=O)CC1CC/C(C)=C/CCC2(CO2)C12CC2
InChIInChI=1S/C16H24O3/c1-12-4-3-7-16(11-19-16)15(8-9-15)13(6-5-12)10-14(17)18-2/h4,13H,3,5-11H2,1-2H3/b12-4+
InChIKeyDQWAAVMFFJMRNC-UUILKARUSA-N
XLogP3.24
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-[(9E)-10-methyl-5-oxadispiro[2.0.24.73]tridec-9-en-13-yl]acetate with MolForge

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Related Compounds

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methyl 2-[(1S)-2-iodo-6,6-dimethylcyclohex-2-en-1-yl]acetate
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1-O-methyl 4-O-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl] butanedioate
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[(4Z)-8-acetyloxy-5-methylcyclooct-4-en-1-yl] acetate
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methyl 2-[(1R,3E)-3-(2-methoxyethylidene)-2,2-dimethylcyclopentyl]acetate
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methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate
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CID 177467133
methyl 2-[(1S,3R,6R,8R,11E,15S)-6,11,15-trimethyl-7,16-dioxatricyclo[13.1.0.06,8]hexadec-11-en-3-yl]prop-2-enoate
CID 163166931
methyl 2-(8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)acetate
CID 121002759
methyl 2-[(1S,6R)-6-hydroxy-3-methylcyclohex-3-en-1-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(9E)-10-methyl-5-oxadispiro[2.0.24.73]tridec-9-en-13-yl]acetate?
The IUPAC name of methyl 2-[(9E)-10-methyl-5-oxadispiro[2.0.24.73]tridec-9-en-13-yl]acetate (CID 10801581) is methyl 2-[(9E)-10-methyl-5-oxadispiro[2.0.24.73]tridec-9-en-13-yl]acetate.
What is the SMILES notation for methyl 2-[(9E)-10-methyl-5-oxadispiro[2.0.24.73]tridec-9-en-13-yl]acetate?
The canonical SMILES for methyl 2-[(9E)-10-methyl-5-oxadispiro[2.0.24.73]tridec-9-en-13-yl]acetate is COC(=O)CC1CC/C(C)=C/CCC2(CO2)C12CC2.
What is the InChIKey of methyl 2-[(9E)-10-methyl-5-oxadispiro[2.0.24.73]tridec-9-en-13-yl]acetate?
The InChIKey is DQWAAVMFFJMRNC-UUILKARUSA-N. The full InChI is InChI=1S/C16H24O3/c1-12-4-3-7-16(11-19-16)15(8-9-15)13(6-5-12)10-14(17)18-2/h4,13H,3,5-11H2,1-2H3/b12-4+.
What are the key properties of methyl 2-[(9E)-10-methyl-5-oxadispiro[2.0.24.73]tridec-9-en-13-yl]acetate?
methyl 2-[(9E)-10-methyl-5-oxadispiro[2.0.24.73]tridec-9-en-13-yl]acetate has a molecular weight of 264.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(9E)-10-methyl-5-oxadispiro[2.0.24.73]tridec-9-en-13-yl]acetate is sourced from PubChem (CID 10801581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).