dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane

C25H38O5 — CID 67920128

IUPACdicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1
InChIInChI=1S/C20H26O4.C5H12O/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16;1-5(2,3)6-4/h7-8,13-16H,1-6,9-12H2;1-4H3
InChIKeyILPJSARJMYWCTR-UHFFFAOYSA-N
MW418.57 g/mol
LogP6.10
Rot. Bonds4

About dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane

dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane (PubChem CID 67920128) has the molecular formula C25H38O5 and a molecular weight of 418.57 g/mol. Its IUPAC name is dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane.

Molecular Properties

Compound Namedicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane
PubChem CID67920128
Molecular FormulaC25H38O5
Molecular Weight418.57 g/mol
Exact Mass418.27
IUPAC Namedicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1
InChIInChI=1S/C20H26O4.C5H12O/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16;1-5(2,3)6-4/h7-8,13-16H,1-6,9-12H2;1-4H3
InChIKeyILPJSARJMYWCTR-UHFFFAOYSA-N
XLogP6.10
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.57
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
tert-butyl benzenecarboperoxoate;dicyclohexyl benzene-1,2-dicarboxylate
CID 88691683
1-O-cyclohexyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate
CID 6423695
cyclohexyl 2-aminobenzoate
CID 24510
cyclohexyl 2-(trifluoromethyl)benzoate
CID 599398
cyclohexyl 2-(methylamino)benzoate
CID 61278808
cyclohexanol;cyclohexyl 2-hydroxybenzoate;methyl 2-hydroxybenzoate
CID 158563155
cyclopentyl 2-(methylamino)benzoate
CID 61278607
cyclopentyl 2-(trifluoromethyl)benzoate
CID 599391
cyclohexyl 2-carbamimidoylbenzoate
CID 154364021
2-O-cyclohexyl 1-O-undecyl benzene-1,2-dicarboxylate
CID 174739456
cyclopentyl 2-aminobenzoate;hydrochloride
CID 138987389

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane?
The IUPAC name of dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane (CID 67920128) is dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane.
What is the SMILES notation for dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane?
The canonical SMILES for dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane is COC(C)(C)C.O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1.
What is the InChIKey of dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane?
The InChIKey is ILPJSARJMYWCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4.C5H12O/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16;1-5(2,3)6-4/h7-8,13-16H,1-6,9-12H2;1-4H3.
What are the key properties of dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane?
dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane has a molecular weight of 418.57 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane is sourced from PubChem (CID 67920128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).