dimethyl 2-cyclohexyl-4,6-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate

C18H26O4 — CID 15833735

IUPACdimethyl 2-cyclohexyl-4,6-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate
SMILESCOC(=O)C1=C(C)CC(C)=C(C(=O)OC)C1C1CCCCC1
InChIInChI=1S/C18H26O4/c1-11-10-12(2)15(18(20)22-4)16(14(11)17(19)21-3)13-8-6-5-7-9-13/h13,16H,5-10H2,1-4H3
InChIKeyLQNKXNPMAYAUGB-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.57
Rot. Bonds3

About dimethyl 2-cyclohexyl-4,6-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate

dimethyl 2-cyclohexyl-4,6-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate (PubChem CID 15833735) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is dimethyl 2-cyclohexyl-4,6-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-cyclohexyl-4,6-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate
PubChem CID15833735
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Namedimethyl 2-cyclohexyl-4,6-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate
SMILESCOC(=O)C1=C(C)CC(C)=C(C(=O)OC)C1C1CCCCC1
InChIInChI=1S/C18H26O4/c1-11-10-12(2)15(18(20)22-4)16(14(11)17(19)21-3)13-8-6-5-7-9-13/h13,16H,5-10H2,1-4H3
InChIKeyLQNKXNPMAYAUGB-UHFFFAOYSA-N
XLogP3.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-cyclohexyl-4,6-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate?
The IUPAC name of dimethyl 2-cyclohexyl-4,6-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate (CID 15833735) is dimethyl 2-cyclohexyl-4,6-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 2-cyclohexyl-4,6-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 2-cyclohexyl-4,6-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate is COC(=O)C1=C(C)CC(C)=C(C(=O)OC)C1C1CCCCC1.
What is the InChIKey of dimethyl 2-cyclohexyl-4,6-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate?
The InChIKey is LQNKXNPMAYAUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-11-10-12(2)15(18(20)22-4)16(14(11)17(19)21-3)13-8-6-5-7-9-13/h13,16H,5-10H2,1-4H3.
What are the key properties of dimethyl 2-cyclohexyl-4,6-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate?
dimethyl 2-cyclohexyl-4,6-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate has a molecular weight of 306.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-cyclohexyl-4,6-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate is sourced from PubChem (CID 15833735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).