dimethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate

C14H18O5 — CID 177248602

IUPACdimethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
SMILESCOC(=O)C1=COC2(CCCCC2)C(C(=O)OC)=C1
InChIInChI=1S/C14H18O5/c1-17-12(15)10-8-11(13(16)18-2)14(19-9-10)6-4-3-5-7-14/h8-9H,3-7H2,1-2H3
InChIKeyNIOZTKLQSSZSPW-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.88
Rot. Bonds2

About dimethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate

dimethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate (PubChem CID 177248602) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is dimethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
PubChem CID177248602
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namedimethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
SMILESCOC(=O)C1=COC2(CCCCC2)C(C(=O)OC)=C1
InChIInChI=1S/C14H18O5/c1-17-12(15)10-8-11(13(16)18-2)14(19-9-10)6-4-3-5-7-14/h8-9H,3-7H2,1-2H3
InChIKeyNIOZTKLQSSZSPW-UHFFFAOYSA-N
XLogP1.88
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-methyl-6-oxo-4-pentylpyran-3-carboxylate
CID 101410529
Dimethyl 9-(trifluoromethyl)-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
CID 177248621
tert-butyl (4aR,8aS)-4-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-chromene-4a-carboxylate
CID 24862298
Methyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate
CID 46192660
4-Methyl-5-methoxycarbonyl-1-oxaspiro(5,5)undec-3-en-2-one
CID 574542
4-Methyl-5-methoxycarbonyl-1-oxaspiro(5,5)undec-4-en-2-one
CID 597483
3-Cyclohexylpyran-2-one
CID 22113977
5-Methyl-6-[4-(4-methylpent-3-enyl)-6-oxo-2,5-dihydropyran-5-yl]pyran-2-one
CID 117893614
[4-[6-(3-Prop-2-enoyloxypropanoyloxy)hexoxy]cyclohexa-1,5-dien-1-yl] cyclohexanecarboxylate
CID 132149273
Ethyl 6-cyclohexyl-2-oxopyran-3-carboxylate
CID 140121788
methyl (E)-2-(2-butyl-3H-cyclopenta[b]pyran-2-yl)-3-methoxyprop-2-enoate
CID 140364372
Ethyl 2-(oxomethylidene)-1-oxaspiro[4.5]dec-3-ene-3-carboxylate
CID 141461956

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
The IUPAC name of dimethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate (CID 177248602) is dimethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate is COC(=O)C1=COC2(CCCCC2)C(C(=O)OC)=C1.
What is the InChIKey of dimethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
The InChIKey is NIOZTKLQSSZSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-17-12(15)10-8-11(13(16)18-2)14(19-9-10)6-4-3-5-7-14/h8-9H,3-7H2,1-2H3.
What are the key properties of dimethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
dimethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate has a molecular weight of 266.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate is sourced from PubChem (CID 177248602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).