methyl 10'-ethenylspiro[1,3-dioxolane-2,9'-3-oxabicyclo[4.3.1]decane]-1'-carboxylate

C15H22O5 — CID 162419140

IUPACmethyl 10'-ethenylspiro[1,3-dioxolane-2,9'-3-oxabicyclo[4.3.1]decane]-1'-carboxylate
SMILESC=CC1C2CCOCC1(C(=O)OC)C1(CC2)OCCO1
InChIInChI=1S/C15H22O5/c1-3-12-11-4-6-15(19-8-9-20-15)14(12,13(16)17-2)10-18-7-5-11/h3,11-12H,1,4-10H2,2H3
InChIKeyUIHLFIDHJQEJFV-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.52
Rot. Bonds2

About methyl 10'-ethenylspiro[1,3-dioxolane-2,9'-3-oxabicyclo[4.3.1]decane]-1'-carboxylate

methyl 10'-ethenylspiro[1,3-dioxolane-2,9'-3-oxabicyclo[4.3.1]decane]-1'-carboxylate (PubChem CID 162419140) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 10'-ethenylspiro[1,3-dioxolane-2,9'-3-oxabicyclo[4.3.1]decane]-1'-carboxylate.

Molecular Properties

Compound Namemethyl 10'-ethenylspiro[1,3-dioxolane-2,9'-3-oxabicyclo[4.3.1]decane]-1'-carboxylate
PubChem CID162419140
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Namemethyl 10'-ethenylspiro[1,3-dioxolane-2,9'-3-oxabicyclo[4.3.1]decane]-1'-carboxylate
SMILESC=CC1C2CCOCC1(C(=O)OC)C1(CC2)OCCO1
InChIInChI=1S/C15H22O5/c1-3-12-11-4-6-15(19-8-9-20-15)14(12,13(16)17-2)10-18-7-5-11/h3,11-12H,1,4-10H2,2H3
InChIKeyUIHLFIDHJQEJFV-UHFFFAOYSA-N
XLogP1.52
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 10'-ethenylspiro[1,3-dioxolane-2,9'-3-oxabicyclo[4.3.1]decane]-1'-carboxylate with MolForge

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Related Compounds

Ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 10858014
CID 134901812
CID 134901812
Methyl 10-ethenyl-9-oxo-3-oxabicyclo[4.3.1]decane-1-carboxylate
CID 162419139
Ethyl (R)-6-Allyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 168850829
propan-2-yl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 178105165
methyl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 178106277
ethyl (6S)-6-allyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 10400072
methyl (1'S,4'aR,8'aR)-5',5',8'a-trimethylspiro[1,3-dioxolane-2,2'-3,4,4a,8-tetrahydro-1H-naphthalene]-1'-carboxylate
CID 11822516

Frequently Asked Questions

What is the IUPAC name of methyl 10'-ethenylspiro[1,3-dioxolane-2,9'-3-oxabicyclo[4.3.1]decane]-1'-carboxylate?
The IUPAC name of methyl 10'-ethenylspiro[1,3-dioxolane-2,9'-3-oxabicyclo[4.3.1]decane]-1'-carboxylate (CID 162419140) is methyl 10'-ethenylspiro[1,3-dioxolane-2,9'-3-oxabicyclo[4.3.1]decane]-1'-carboxylate.
What is the SMILES notation for methyl 10'-ethenylspiro[1,3-dioxolane-2,9'-3-oxabicyclo[4.3.1]decane]-1'-carboxylate?
The canonical SMILES for methyl 10'-ethenylspiro[1,3-dioxolane-2,9'-3-oxabicyclo[4.3.1]decane]-1'-carboxylate is C=CC1C2CCOCC1(C(=O)OC)C1(CC2)OCCO1.
What is the InChIKey of methyl 10'-ethenylspiro[1,3-dioxolane-2,9'-3-oxabicyclo[4.3.1]decane]-1'-carboxylate?
The InChIKey is UIHLFIDHJQEJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-3-12-11-4-6-15(19-8-9-20-15)14(12,13(16)17-2)10-18-7-5-11/h3,11-12H,1,4-10H2,2H3.
What are the key properties of methyl 10'-ethenylspiro[1,3-dioxolane-2,9'-3-oxabicyclo[4.3.1]decane]-1'-carboxylate?
methyl 10'-ethenylspiro[1,3-dioxolane-2,9'-3-oxabicyclo[4.3.1]decane]-1'-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10'-ethenylspiro[1,3-dioxolane-2,9'-3-oxabicyclo[4.3.1]decane]-1'-carboxylate is sourced from PubChem (CID 162419140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).