dimethyl (7S,9R)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate

C15H22O6 — CID 124565083

IUPACdimethyl (7S,9R)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate
SMILESC=CC[C@]1(C(=O)OC)C[C@@H](C(=O)OC)CC2(C1)OCCO2
InChIInChI=1S/C15H22O6/c1-4-5-14(13(17)19-3)8-11(12(16)18-2)9-15(10-14)20-6-7-21-15/h4,11H,1,5-10H2,2-3H3/t11-,14+/m1/s1
InChIKeySLLXRPVUYYWQOQ-RISCZKNCSA-N
MW298.33 g/mol
LogP1.44
Rot. Bonds4

About dimethyl (7S,9R)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate

dimethyl (7S,9R)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate (PubChem CID 124565083) has the molecular formula C15H22O6 and a molecular weight of 298.33 g/mol. Its IUPAC name is dimethyl (7S,9R)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate.

Molecular Properties

Compound Namedimethyl (7S,9R)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate
PubChem CID124565083
Molecular FormulaC15H22O6
Molecular Weight298.33 g/mol
Exact Mass298.14
IUPAC Namedimethyl (7S,9R)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate
SMILESC=CC[C@]1(C(=O)OC)C[C@@H](C(=O)OC)CC2(C1)OCCO2
InChIInChI=1S/C15H22O6/c1-4-5-14(13(17)19-3)8-11(12(16)18-2)9-15(10-14)20-6-7-21-15/h4,11H,1,5-10H2,2-3H3/t11-,14+/m1/s1
InChIKeySLLXRPVUYYWQOQ-RISCZKNCSA-N
XLogP1.44
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (7S,9S)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate
CID 124565082
dimethyl 7-[2-(3,5-difluoroanilino)ethyl]-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate
CID 67108562
methyl 1-prop-2-enylcyclohexane-1-carboxylate
CID 10932067
ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate
CID 86713762
methyl 1-but-3-enylcyclopentane-1-carboxylate;methyl cyclopentanecarboxylate
CID 158701514
dimethyl 2-ethenylcyclopropane-1,1-dicarboxylate
CID 10464992
methyl 7-prop-2-enylbicyclo[2.2.1]heptane-7-carboxylate
CID 45098783
8-methoxy-8-prop-2-enyl-1,4-dioxaspiro[4.5]decane
CID 11593711
methyl (8R)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
CID 122607276
methyl (1S,3E)-3-hydroxyimino-1-prop-2-enylcyclohexane-1-carboxylate
CID 98558427
methyl 3'-methyl-9'-oxospiro[1,3-dioxolane-2,7'-bicyclo[3.3.1]non-3-ene]-1'-carboxylate
CID 85357555
methyl 2-oxaspiro[3.3]heptane-6-carboxylate
CID 135392775

Frequently Asked Questions

What is the IUPAC name of dimethyl (7S,9R)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate?
The IUPAC name of dimethyl (7S,9R)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate (CID 124565083) is dimethyl (7S,9R)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate.
What is the SMILES notation for dimethyl (7S,9R)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate?
The canonical SMILES for dimethyl (7S,9R)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate is C=CC[C@]1(C(=O)OC)C[C@@H](C(=O)OC)CC2(C1)OCCO2.
What is the InChIKey of dimethyl (7S,9R)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate?
The InChIKey is SLLXRPVUYYWQOQ-RISCZKNCSA-N. The full InChI is InChI=1S/C15H22O6/c1-4-5-14(13(17)19-3)8-11(12(16)18-2)9-15(10-14)20-6-7-21-15/h4,11H,1,5-10H2,2-3H3/t11-,14+/m1/s1.
What are the key properties of dimethyl (7S,9R)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate?
dimethyl (7S,9R)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate has a molecular weight of 298.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (7S,9R)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate is sourced from PubChem (CID 124565083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).