dimethyl 6,10-dimethyltricyclo[5.4.1.04,12]dodeca-1,3,7(12),8,10-pentaene-2,3-dicarboxylate

C18H18O4 — CID 15252535

IUPACdimethyl 6,10-dimethyltricyclo[5.4.1.04,12]dodeca-1,3,7(12),8,10-pentaene-2,3-dicarboxylate
SMILESCOC(=O)c1c2cc(C)ccc3c-2c(c1C(=O)OC)CC3C
InChIInChI=1S/C18H18O4/c1-9-5-6-11-10(2)8-13-14(11)12(7-9)15(17(19)21-3)16(13)18(20)22-4/h5-7,10H,8H2,1-4H3
InChIKeyVYBUWEVKOBAMLE-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.33
Rot. Bonds2

About dimethyl 6,10-dimethyltricyclo[5.4.1.04,12]dodeca-1,3,7(12),8,10-pentaene-2,3-dicarboxylate

dimethyl 6,10-dimethyltricyclo[5.4.1.04,12]dodeca-1,3,7(12),8,10-pentaene-2,3-dicarboxylate (PubChem CID 15252535) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is dimethyl 6,10-dimethyltricyclo[5.4.1.04,12]dodeca-1,3,7(12),8,10-pentaene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6,10-dimethyltricyclo[5.4.1.04,12]dodeca-1,3,7(12),8,10-pentaene-2,3-dicarboxylate
PubChem CID15252535
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Namedimethyl 6,10-dimethyltricyclo[5.4.1.04,12]dodeca-1,3,7(12),8,10-pentaene-2,3-dicarboxylate
SMILESCOC(=O)c1c2cc(C)ccc3c-2c(c1C(=O)OC)CC3C
InChIInChI=1S/C18H18O4/c1-9-5-6-11-10(2)8-13-14(11)12(7-9)15(17(19)21-3)16(13)18(20)22-4/h5-7,10H,8H2,1-4H3
InChIKeyVYBUWEVKOBAMLE-UHFFFAOYSA-N
XLogP3.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dimethyl 6,10-dimethyltricyclo[5.4.1.04,12]dodeca-1,3,7(12),8,10-pentaene-2,3-dicarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethyl 6,10-dimethyltricyclo[5.4.1.04,12]dodeca-1,3,7(12),8,10-pentaene-2,3-dicarboxylate?
The IUPAC name of dimethyl 6,10-dimethyltricyclo[5.4.1.04,12]dodeca-1,3,7(12),8,10-pentaene-2,3-dicarboxylate (CID 15252535) is dimethyl 6,10-dimethyltricyclo[5.4.1.04,12]dodeca-1,3,7(12),8,10-pentaene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 6,10-dimethyltricyclo[5.4.1.04,12]dodeca-1,3,7(12),8,10-pentaene-2,3-dicarboxylate?
The canonical SMILES for dimethyl 6,10-dimethyltricyclo[5.4.1.04,12]dodeca-1,3,7(12),8,10-pentaene-2,3-dicarboxylate is COC(=O)c1c2cc(C)ccc3c-2c(c1C(=O)OC)CC3C.
What is the InChIKey of dimethyl 6,10-dimethyltricyclo[5.4.1.04,12]dodeca-1,3,7(12),8,10-pentaene-2,3-dicarboxylate?
The InChIKey is VYBUWEVKOBAMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-9-5-6-11-10(2)8-13-14(11)12(7-9)15(17(19)21-3)16(13)18(20)22-4/h5-7,10H,8H2,1-4H3.
What are the key properties of dimethyl 6,10-dimethyltricyclo[5.4.1.04,12]dodeca-1,3,7(12),8,10-pentaene-2,3-dicarboxylate?
dimethyl 6,10-dimethyltricyclo[5.4.1.04,12]dodeca-1,3,7(12),8,10-pentaene-2,3-dicarboxylate has a molecular weight of 298.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6,10-dimethyltricyclo[5.4.1.04,12]dodeca-1,3,7(12),8,10-pentaene-2,3-dicarboxylate is sourced from PubChem (CID 15252535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).