bis(2,3-dimethylidenecyclohexyl) benzene-1,2-dicarboxylate

C24H26O4 — CID 88769233

IUPACbis(2,3-dimethylidenecyclohexyl) benzene-1,2-dicarboxylate
SMILESC=C1CCCC(OC(=O)c2ccccc2C(=O)OC2CCCC(=C)C2=C)C1=C
InChIInChI=1S/C24H26O4/c1-15-9-7-13-21(17(15)3)27-23(25)19-11-5-6-12-20(19)24(26)28-22-14-8-10-16(2)18(22)4/h5-6,11-12,21-22H,1-4,7-10,13-14H2
InChIKeyOFBWQDOHIIAWNG-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.33
Rot. Bonds4

About bis(2,3-dimethylidenecyclohexyl) benzene-1,2-dicarboxylate

bis(2,3-dimethylidenecyclohexyl) benzene-1,2-dicarboxylate (PubChem CID 88769233) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is bis(2,3-dimethylidenecyclohexyl) benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(2,3-dimethylidenecyclohexyl) benzene-1,2-dicarboxylate
PubChem CID88769233
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Namebis(2,3-dimethylidenecyclohexyl) benzene-1,2-dicarboxylate
SMILESC=C1CCCC(OC(=O)c2ccccc2C(=O)OC2CCCC(=C)C2=C)C1=C
InChIInChI=1S/C24H26O4/c1-15-9-7-13-21(17(15)3)27-23(25)19-11-5-6-12-20(19)24(26)28-22-14-8-10-16(2)18(22)4/h5-6,11-12,21-22H,1-4,7-10,13-14H2
InChIKeyOFBWQDOHIIAWNG-UHFFFAOYSA-N
XLogP5.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyl Benzoate
CID 2345
Dibutyl Phthalate
CID 3026
Diethyl Phthalate
CID 6781
Butylphthalide
CID 61361
Dimethyl Phthalate
CID 8554
Diisobutyl phthalate
CID 6782
Diisodecyl Phthalate
CID 33599
Dicyclohexyl phthalate
CID 6777
Butyl Benzyl Phthalate
CID 2347
Dipentyl phthalate
CID 8561
Di(2-ethylhexyl) phthalate
CID 8343
di-N-Octyl Phthalate
CID 8346

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylidenecyclohexyl) benzene-1,2-dicarboxylate?
The IUPAC name of bis(2,3-dimethylidenecyclohexyl) benzene-1,2-dicarboxylate (CID 88769233) is bis(2,3-dimethylidenecyclohexyl) benzene-1,2-dicarboxylate.
What is the SMILES notation for bis(2,3-dimethylidenecyclohexyl) benzene-1,2-dicarboxylate?
The canonical SMILES for bis(2,3-dimethylidenecyclohexyl) benzene-1,2-dicarboxylate is C=C1CCCC(OC(=O)c2ccccc2C(=O)OC2CCCC(=C)C2=C)C1=C.
What is the InChIKey of bis(2,3-dimethylidenecyclohexyl) benzene-1,2-dicarboxylate?
The InChIKey is OFBWQDOHIIAWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O4/c1-15-9-7-13-21(17(15)3)27-23(25)19-11-5-6-12-20(19)24(26)28-22-14-8-10-16(2)18(22)4/h5-6,11-12,21-22H,1-4,7-10,13-14H2.
What are the key properties of bis(2,3-dimethylidenecyclohexyl) benzene-1,2-dicarboxylate?
bis(2,3-dimethylidenecyclohexyl) benzene-1,2-dicarboxylate has a molecular weight of 378.47 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylidenecyclohexyl) benzene-1,2-dicarboxylate is sourced from PubChem (CID 88769233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).