dimethyl 8,10-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate

C16H22O5 — CID 177248596

IUPACdimethyl 8,10-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
SMILESCOC(=O)C1=COC2(CC(C)CC(C)C2)C(C(=O)OC)=C1
InChIInChI=1S/C16H22O5/c1-10-5-11(2)8-16(7-10)13(15(18)20-4)6-12(9-21-16)14(17)19-3/h6,9-11H,5,7-8H2,1-4H3
InChIKeyUEIDCRUORFPESK-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.37
Rot. Bonds2

About dimethyl 8,10-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate

dimethyl 8,10-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate (PubChem CID 177248596) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is dimethyl 8,10-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 8,10-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
PubChem CID177248596
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Namedimethyl 8,10-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
SMILESCOC(=O)C1=COC2(CC(C)CC(C)C2)C(C(=O)OC)=C1
InChIInChI=1S/C16H22O5/c1-10-5-11(2)8-16(7-10)13(15(18)20-4)6-12(9-21-16)14(17)19-3/h6,9-11H,5,7-8H2,1-4H3
InChIKeyUEIDCRUORFPESK-UHFFFAOYSA-N
XLogP2.37
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl 8,10-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate with MolForge

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Related Compounds

methyl (3S,8S,8aR)-3-acetyloxy-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylate
CID 162958858
methyl (3S,8S,8aR)-5-methyl-3-(2-methylpropanoyloxy)-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylate
CID 163029327
Dimethyl 9-(trifluoromethyl)-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
CID 177248621
4-Methyl-5-methoxycarbonyl-1-oxaspiro(5,5)undec-3-en-2-one
CID 574542
10,10,16,17-Tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),5,8(13),11,16-pentaene-4,18-dione
CID 57262740
(5aS,7R)-3-methyl-7-prop-1-en-2-yl-5a,6,7,8-tetrahydropyrano[4,3-b]chromene-1,9-dione
CID 68329556
7-O-tert-butyl 2-O-ethyl bicyclo[3.3.1]non-2-ene-2,7-dicarboxylate
CID 154310575
(3,3,5-Trimethylcyclohexyl) 6-prop-2-enoyloxycyclohexa-1,3-diene-1-carboxylate
CID 163664555
Dimethyl 9-tert-butyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
CID 177248585
Dimethyl 10-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
CID 177248586
Dimethyl 2-methyl-2-pentylpyran-3,5-dicarboxylate
CID 177248587
dimethyl 2-cyclohexyl-2H-pyran-3,5-dicarboxylate
CID 177248593

Frequently Asked Questions

What is the IUPAC name of dimethyl 8,10-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
The IUPAC name of dimethyl 8,10-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate (CID 177248596) is dimethyl 8,10-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 8,10-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
The canonical SMILES for dimethyl 8,10-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate is COC(=O)C1=COC2(CC(C)CC(C)C2)C(C(=O)OC)=C1.
What is the InChIKey of dimethyl 8,10-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
The InChIKey is UEIDCRUORFPESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-10-5-11(2)8-16(7-10)13(15(18)20-4)6-12(9-21-16)14(17)19-3/h6,9-11H,5,7-8H2,1-4H3.
What are the key properties of dimethyl 8,10-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate?
dimethyl 8,10-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate has a molecular weight of 294.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 8,10-dimethyl-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate is sourced from PubChem (CID 177248596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).